#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpl s SER 2 N 0.00 6.53 0.08 1.61 0.01 -1.26 -2.70 113.70 117.97 3kpl s SER 2 Ca 0.00 0.62 0.01 0.00 1.31 0.00 0.00 55.95 57.89 3kpl s SER 2 Cb 0.00 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 3kpl s SER 2 CO 0.00 0.30 -0.06 -1.00 0.41 0.00 0.00 173.24 172.89 3kpl s HIS 3 N -1.21 0.77 0.03 2.43 0.09 -0.75 -5.00 115.29 111.65 3kpl s HIS 3 Ca 0.24 -0.91 0.02 0.00 -0.00 0.00 0.00 55.06 54.41 3kpl s HIS 3 Cb -0.14 -0.47 -0.02 0.00 -0.00 0.00 0.00 32.58 31.96 3kpl s HIS 3 CO 0.13 -0.20 -0.08 -1.54 -0.00 0.00 0.00 174.74 173.05 3kpl s SER 4 N -2.87 0.88 -0.08 1.40 1.04 -1.26 -0.82 113.70 111.99 3kpl s SER 4 Ca 0.08 -0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.17 3kpl s SER 4 Cb 0.04 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.15 3kpl s SER 4 CO -0.06 -0.08 -0.22 -0.32 0.98 0.00 0.00 173.24 173.55 3kpl s MET 5 N -1.03 2.62 -0.00 4.02 -2.45 -0.13 -1.06 119.30 121.27 3kpl s MET 5 Ca -0.04 -0.78 0.01 0.00 -1.25 0.00 0.00 55.69 53.62 3kpl s MET 5 Cb -0.07 -2.06 0.00 0.00 1.25 0.00 0.00 34.83 33.95 3kpl s MET 5 CO 0.00 0.19 -0.02 1.03 1.05 0.00 0.00 175.02 177.27 3kpl s ARG 6 N 0.29 0.20 -0.10 4.11 1.81 -0.42 -1.70 118.95 123.14 3kpl s ARG 6 Ca -0.14 -0.07 -0.00 0.00 -1.72 0.00 0.00 55.73 53.80 3kpl s ARG 6 Cb -0.16 -0.22 -0.03 0.00 -0.45 0.00 0.00 34.95 34.09 3kpl s ARG 6 CO 0.07 0.03 -0.07 0.71 -0.68 0.00 0.00 175.30 175.36 3kpl s TYR 7 N 0.05 2.93 -0.18 -0.53 2.02 -0.50 0.37 117.35 121.51 3kpl s TYR 7 Ca -0.00 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 3kpl s TYR 7 Cb -0.02 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 3kpl s TYR 7 CO -0.00 0.17 -0.18 -0.06 -1.57 0.00 0.00 175.55 173.91 3kpl s PHE 8 N -0.37 2.71 -0.13 2.71 0.40 0.11 -2.40 117.98 121.00 3kpl s PHE 8 Ca 0.05 -1.64 -0.07 0.00 -0.60 0.00 0.00 56.93 54.68 3kpl s PHE 8 Cb -0.12 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.51 3kpl s PHE 8 CO 0.02 -0.79 0.13 0.71 0.70 0.00 0.00 175.22 175.99 3kpl s TYR 9 N 1.31 3.53 -0.09 0.36 1.51 0.20 -1.71 117.35 122.45 3kpl s TYR 9 Ca 0.04 0.47 -0.00 0.00 -1.01 0.00 0.00 57.07 56.56 3kpl s TYR 9 Cb -0.14 -1.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 3kpl s TYR 9 CO -0.12 0.64 -0.06 0.99 -1.11 0.00 0.00 175.55 175.89 3kpl s THR 10 N -0.77 0.85 -0.20 -0.71 2.01 -0.30 -1.94 115.64 114.58 3kpl s THR 10 Ca 0.13 -0.20 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 3kpl s THR 10 Cb -0.12 -0.89 -0.00 0.00 0.01 0.00 0.00 72.50 71.50 3kpl s THR 10 CO 0.03 0.33 -0.08 0.00 -0.69 0.00 0.00 174.62 174.21 3kpl s ALA 11 N 1.63 2.70 -0.11 7.40 0.00 -0.18 -1.10 121.76 132.10 3kpl s ALA 11 Ca 0.02 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.85 3kpl s ALA 11 Cb -0.13 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.45 3kpl s ALA 11 CO -0.06 -0.35 -0.16 1.41 0.00 0.00 0.00 175.76 176.60 3kpl s MET 12 N 1.33 2.30 0.40 0.00 1.75 -0.29 -0.54 119.30 124.26 3kpl s MET 12 Ca 0.04 -0.59 -0.15 0.00 -1.25 0.00 0.00 55.69 53.73 3kpl s MET 12 Cb -0.14 -1.93 -0.08 0.00 2.84 0.00 0.00 34.83 35.51 3kpl s MET 12 CO -0.04 -0.04 0.84 -1.54 -0.65 0.00 0.00 175.02 173.58 3kpl s SER 13 N 0.93 6.70 -0.45 1.11 1.04 0.62 -1.18 113.70 122.48 3kpl s SER 13 Ca -0.07 1.37 0.07 0.00 0.48 0.00 0.00 55.95 57.80 3kpl s SER 13 Cb -0.15 -2.42 0.25 0.00 0.10 0.00 0.00 66.02 63.80 3kpl s SER 13 CO -0.01 -0.37 0.75 -2.11 0.98 0.00 0.00 173.24 172.49 3kpl n ARG 14 N -0.92 0.77 -1.61 4.02 1.85 -1.26 -3.96 116.66 115.55 3kpl n ARG 14 Ca 0.04 -2.37 -0.47 0.00 -1.00 0.00 0.00 57.85 54.05 3kpl n ARG 14 Cb 0.54 -1.36 -0.03 0.00 -1.05 0.00 0.00 32.46 30.56 3kpl n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3kpl n PRO 15 N 1.44 1.49 0.00 2.89 -0.02 -1.26 -0.65 135.00 138.89 3kpl n PRO 15 Ca 0.14 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3kpl n PRO 15 Cb 0.60 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3kpl n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpl n GLY 16 N 1.98 1.66 1.35 -1.23 0.00 -1.26 -4.85 105.19 102.84 3kpl n GLY 16 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 3kpl n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpl n ARG 17 N -2.00 1.66 0.00 1.61 1.74 0.17 -5.11 116.66 114.73 3kpl n ARG 17 Ca 0.00 -3.21 0.00 0.00 -0.77 0.00 0.00 57.85 53.87 3kpl n ARG 17 Cb 0.00 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3kpl n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kpl n GLY 18 N -0.60 -1.80 3.86 -0.13 0.00 -1.25 -4.93 105.19 100.34 3kpl n GLY 18 Ca 0.20 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 3kpl n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kpl s GLU 19 N 0.00 3.51 0.25 1.61 0.41 -1.26 -4.55 118.70 118.67 3kpl s GLU 19 Ca 0.00 0.83 -0.31 0.00 -0.41 0.00 0.00 54.97 55.08 3kpl s GLU 19 Cb 0.00 -2.07 -0.13 0.00 -1.78 0.00 0.00 34.13 30.16 3kpl s GLU 19 CO 0.00 -0.64 1.53 -2.30 -0.49 0.00 0.00 175.26 173.36 3kpl n PRO 20 N -2.65 2.39 -2.49 0.39 -0.02 -1.26 -4.80 135.00 126.55 3kpl n PRO 20 Ca 0.06 0.85 -0.41 0.00 -2.02 0.00 0.00 63.50 61.98 3kpl n PRO 20 Cb 0.54 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 3kpl n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kpl s ARG 21 N -0.20 4.53 -0.13 -0.52 3.52 -0.32 -4.81 118.95 121.02 3kpl s ARG 21 Ca 0.68 1.72 0.03 0.00 -0.13 0.00 0.00 55.73 58.03 3kpl s ARG 21 Cb -0.57 -3.31 0.01 0.00 -1.56 0.00 0.00 34.95 29.51 3kpl s ARG 21 CO 0.47 -0.05 -0.22 0.12 -0.81 0.00 0.00 175.30 174.80 3kpl s PHE 22 N 0.28 2.63 -0.02 5.12 5.36 -1.26 -1.13 117.98 128.96 3kpl s PHE 22 Ca 0.53 -1.22 0.04 0.00 -0.96 0.00 0.00 56.93 55.32 3kpl s PHE 22 Cb -0.29 -1.78 -0.01 0.00 -0.34 0.00 0.00 43.02 40.61 3kpl s PHE 22 CO 0.33 -0.53 -0.15 0.42 -1.46 0.00 0.00 175.22 173.83 3kpl s ILE 23 N 0.63 1.21 -0.08 3.12 1.01 -0.26 -0.61 121.20 126.21 3kpl s ILE 23 Ca -0.12 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3kpl s ILE 23 Cb -0.16 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.30 3kpl s ILE 23 CO 0.02 0.35 -0.15 -0.89 0.00 0.00 0.00 174.94 174.27 3kpl s THR 24 N -0.17 1.40 -0.03 2.92 2.01 -0.07 -1.15 115.64 120.55 3kpl s THR 24 Ca 0.02 -0.62 0.08 0.00 0.31 0.00 0.00 61.69 61.48 3kpl s THR 24 Cb -0.08 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 3kpl s THR 24 CO 0.00 0.42 -0.26 0.68 -0.69 0.00 0.00 174.62 174.77 3kpl s VAL 25 N 0.69 2.05 0.00 3.82 -7.23 -0.70 -0.13 120.40 118.90 3kpl s VAL 25 Ca -0.13 -1.10 0.06 0.00 -1.81 0.00 0.00 61.98 59.00 3kpl s VAL 25 Cb -0.16 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 3kpl s VAL 25 CO 0.03 0.58 -0.19 -0.83 -0.31 0.00 0.00 175.10 174.38 3kpl s GLY 26 N -0.55 1.48 0.03 2.32 0.00 -0.31 0.03 107.32 110.32 3kpl s GLY 26 Ca 0.08 -1.12 0.04 0.00 0.00 0.00 0.00 44.72 43.72 3kpl s GLY 26 CO -0.00 -0.96 -0.12 -0.19 0.00 0.00 0.00 173.10 171.83 3kpl s TYR 27 N -0.78 1.05 -0.20 1.90 1.51 0.16 -1.22 117.35 119.76 3kpl s TYR 27 Ca 0.12 -0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 55.82 3kpl s TYR 27 Cb -0.10 -0.63 -0.00 0.00 -0.11 0.00 0.00 41.96 41.11 3kpl s TYR 27 CO 0.02 0.01 -0.08 0.08 -1.11 0.00 0.00 175.55 174.47 3kpl s VAL 28 N -0.81 3.13 0.00 0.71 1.01 -0.40 -1.30 120.40 122.73 3kpl s VAL 28 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3kpl s VAL 28 Cb -0.07 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3kpl s VAL 28 CO 0.01 0.46 0.00 0.47 0.00 0.00 0.00 175.10 176.03 3kpl n ASP 29 N 4.58 0.00 -1.54 3.32 8.00 -0.22 -0.26 116.55 130.42 3kpl n ASP 29 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 3kpl n ASP 29 Cb 0.51 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.86 3kpl n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kpl n ASP 30 N 2.08 4.13 -4.28 -2.24 8.00 -1.26 -4.85 116.55 118.13 3kpl n ASP 30 Ca 0.00 -2.74 -0.36 0.00 0.71 0.00 0.00 54.79 52.40 3kpl n ASP 30 Cb 0.00 -0.65 -0.13 0.00 -0.02 0.00 0.00 41.12 40.32 3kpl n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kpl s THR 31 N -2.23 3.47 0.11 -3.53 2.01 0.64 -5.02 115.64 111.09 3kpl s THR 31 Ca 0.38 -0.86 -0.31 0.00 0.31 0.00 0.00 61.69 61.21 3kpl s THR 31 Cb 0.30 -2.79 -0.08 0.00 0.01 0.00 0.00 72.50 69.94 3kpl s THR 31 CO 0.10 0.12 1.39 -0.22 -0.69 0.00 0.00 174.62 175.33 3kpl s LEU 32 N 1.42 4.37 0.00 4.42 2.96 -1.26 -1.28 118.68 129.30 3kpl s LEU 32 Ca 0.01 2.31 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 3kpl s LEU 32 Cb -0.17 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.94 3kpl s LEU 32 CO -0.01 -0.66 0.00 2.22 -1.32 0.00 0.00 176.35 176.59 3kpl n PHE 33 N 4.07 0.00 -3.65 5.38 -1.74 -0.36 -4.16 117.46 117.01 3kpl n PHE 33 Ca 0.12 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.86 3kpl n PHE 33 Cb 0.42 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.35 3kpl n PHE 33 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3kpl s VAL 34 N -1.39 0.04 0.03 1.97 0.11 -1.21 0.07 120.40 120.02 3kpl s VAL 34 Ca 0.00 -0.33 -0.08 0.00 -2.93 0.00 0.00 61.98 58.64 3kpl s VAL 34 Cb 0.00 -0.85 -0.00 0.00 -1.53 0.00 0.00 36.38 34.00 3kpl s VAL 34 CO 0.00 -0.18 0.15 0.00 -3.33 0.00 0.00 175.10 171.74 3kpl s ARG 35 N -1.76 0.63 -0.05 1.54 1.70 -0.84 -1.16 118.95 119.01 3kpl s ARG 35 Ca -0.10 -0.64 -0.04 0.00 -0.47 0.00 0.00 55.73 54.49 3kpl s ARG 35 Cb -0.02 0.26 0.02 0.00 -0.57 0.00 0.00 34.95 34.64 3kpl s ARG 35 CO 0.03 -0.17 0.13 0.12 -1.08 0.00 0.00 175.30 174.33 3kpl s PHE 36 N -2.43 -0.14 -0.05 5.89 2.19 0.81 -0.59 117.98 123.67 3kpl s PHE 36 Ca -0.06 0.37 -0.01 0.00 0.33 0.00 0.00 56.93 57.56 3kpl s PHE 36 Cb -0.02 -0.01 0.03 0.00 -1.31 0.00 0.00 43.02 41.71 3kpl s PHE 36 CO -0.03 -0.10 0.01 0.34 1.83 0.00 0.00 175.22 177.27 3kpl s ASP 37 N 0.47 1.11 0.39 6.13 -1.08 -1.26 -0.90 116.67 121.53 3kpl s ASP 37 Ca -0.03 -0.03 0.28 0.00 -0.52 0.00 0.00 52.55 52.25 3kpl s ASP 37 Cb -0.05 -0.30 1.17 0.00 -1.46 0.00 0.00 42.92 42.29 3kpl s ASP 37 CO -0.02 -0.18 1.84 0.77 0.52 0.00 0.00 175.17 178.10 3kpl h SER 38 N 8.00 0.00 -0.07 -0.34 4.64 -1.26 -2.20 113.55 122.32 3kpl h SER 38 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3kpl h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3kpl h SER 38 CO 0.30 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.73 3kpl n ASP 39 N -2.60 0.93 -4.77 4.97 8.00 -1.26 -4.84 116.55 116.98 3kpl n ASP 39 Ca 0.01 -1.50 -0.34 0.00 0.71 0.00 0.00 54.79 53.68 3kpl n ASP 39 Cb 0.25 -0.04 0.04 0.00 -0.02 0.00 0.00 41.12 41.35 3kpl n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kpl s ALA 40 N -1.91 2.52 0.14 2.24 0.00 -0.83 -4.97 121.76 118.95 3kpl s ALA 40 Ca 0.34 0.65 -0.18 0.00 0.00 0.00 0.00 51.96 52.76 3kpl s ALA 40 Cb 0.17 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.97 3kpl s ALA 40 CO 0.27 -1.15 1.72 1.15 0.00 0.00 0.00 175.76 177.75 3kpl h THR 41 N 0.37 0.82 -2.81 0.00 2.02 -1.91 -3.27 112.91 108.13 3kpl h THR 41 Ca -0.48 -0.04 -0.61 0.00 0.77 0.00 0.00 66.41 66.06 3kpl h THR 41 Cb 1.25 0.71 -0.40 0.00 -1.74 0.00 0.00 68.15 67.97 3kpl h THR 41 CO 0.55 0.02 -0.76 -0.44 0.37 0.00 0.00 175.52 175.26 3kpl s SER 42 N -5.26 3.33 0.21 4.18 0.01 -1.26 -5.10 113.70 109.80 3kpl s SER 42 Ca -0.13 -3.25 -0.32 0.00 1.31 0.00 0.00 55.95 53.55 3kpl s SER 42 Cb 0.11 -1.06 -0.12 0.00 0.21 0.00 0.00 66.02 65.16 3kpl s SER 42 CO 0.70 -0.16 1.67 -2.65 0.41 0.00 0.00 173.24 173.21 3kpl n PRO 43 N 2.70 2.63 -3.61 12.44 -0.02 -1.24 -4.98 135.00 142.92 3kpl n PRO 43 Ca 0.20 0.95 -0.10 0.00 -2.02 0.00 0.00 63.50 62.52 3kpl n PRO 43 Cb 0.39 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.08 3kpl n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3kpl s ARG 44 N 0.89 1.37 0.05 -0.52 1.70 -1.26 -5.03 118.95 116.15 3kpl s ARG 44 Ca 0.74 -0.69 -0.32 0.00 -0.47 0.00 0.00 55.73 54.99 3kpl s ARG 44 Cb -0.54 0.56 -0.11 0.00 -0.57 0.00 0.00 34.95 34.29 3kpl s ARG 44 CO 0.36 -0.60 1.85 1.63 -1.08 0.00 0.00 175.30 177.46 3kpl n LYS 45 N -0.37 2.56 -5.26 3.89 4.76 -1.26 -4.48 118.16 118.01 3kpl n LYS 45 Ca -0.13 0.93 -0.31 0.00 -2.87 0.00 0.00 58.31 55.93 3kpl n LYS 45 Cb 0.63 -2.81 -0.16 0.00 -1.84 0.00 0.00 35.03 30.85 3kpl n LYS 45 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3kpl s GLU 46 N 3.31 2.46 0.34 1.97 2.02 0.24 -4.92 118.70 124.13 3kpl s GLU 46 Ca 0.86 -0.90 -0.29 0.00 0.02 0.00 0.00 54.97 54.67 3kpl s GLU 46 Cb -0.56 -2.15 -0.10 0.00 0.10 0.00 0.00 34.13 31.42 3kpl s GLU 46 CO 0.43 0.43 1.36 -1.25 0.02 0.00 0.00 175.26 176.25 3kpl s PRO 47 N -0.28 4.28 0.00 0.39 0.04 -1.26 -1.98 135.00 136.19 3kpl s PRO 47 Ca 0.00 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.36 3kpl s PRO 47 Cb -0.13 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3kpl s PRO 47 CO 0.02 -0.29 0.45 0.54 0.04 0.00 0.00 177.00 177.76 3kpl n ARG 48 N 0.73 -0.33 -3.89 4.56 3.00 0.11 -4.89 116.66 115.95 3kpl n ARG 48 Ca 0.00 -0.50 -0.11 0.00 -0.01 0.00 0.00 57.85 57.23 3kpl n ARG 48 Cb 0.41 -0.88 -0.12 0.00 0.00 0.00 0.00 32.46 31.87 3kpl n ARG 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kpl s ALA 49 N -0.11 -0.13 0.35 7.54 0.00 -1.23 -4.70 121.76 123.49 3kpl s ALA 49 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 51.88 3kpl s ALA 49 Cb 0.00 0.02 0.66 0.00 0.00 0.00 0.00 23.12 23.80 3kpl s ALA 49 CO 0.00 -0.12 1.97 -1.35 0.00 0.00 0.00 175.76 176.26 3kpl h PRO 50 N 5.17 0.69 0.00 0.00 0.11 -1.95 -3.01 132.00 133.01 3kpl h PRO 50 Ca -0.28 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3kpl h PRO 50 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kpl h PRO 50 CO 0.43 0.53 0.00 0.11 -0.21 0.00 0.00 178.00 178.86 3kpl h TRP 51 N 0.70 0.00 0.00 0.65 5.08 -1.98 -2.75 115.95 117.65 3kpl h TRP 51 Ca 0.18 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.15 3kpl h TRP 51 Cb 0.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.21 3kpl h TRP 51 CO 0.00 0.00 -0.29 0.97 -1.28 0.00 0.00 178.44 177.84 3kpl h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.87 -3.36 117.51 118.48 3kpl h ILE 52 Ca 0.00 -0.86 -0.00 0.00 -1.37 0.00 0.00 64.86 62.63 3kpl h ILE 52 Cb 0.53 1.70 -0.00 0.00 0.47 0.00 0.00 36.82 39.52 3kpl h ILE 52 CO 0.00 0.00 -0.02 -0.33 -3.07 0.00 0.00 178.15 174.73 3kpl h GLU 53 N 0.00 0.00 -0.02 2.19 5.08 -1.58 -2.33 114.58 117.92 3kpl h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kpl h GLU 53 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3kpl h GLU 53 CO 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 3kpl n GLN 54 N -3.27 1.16 -2.33 2.33 10.64 -1.26 -4.74 117.38 119.91 3kpl n GLN 54 Ca -0.02 -0.23 -0.42 0.00 -1.83 0.00 0.00 57.00 54.50 3kpl n GLN 54 Cb 0.15 -1.42 -0.03 0.00 -0.86 0.00 0.00 30.24 28.08 3kpl n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3kpl s GLU 55 N -1.98 4.40 1.38 2.61 0.41 -0.88 -5.02 118.70 119.62 3kpl s GLU 55 Ca 0.38 1.90 -0.21 0.00 -0.41 0.00 0.00 54.97 56.63 3kpl s GLU 55 Cb 0.18 -3.29 0.35 0.00 -1.78 0.00 0.00 34.13 29.59 3kpl s GLU 55 CO 0.30 -0.29 0.96 0.20 -0.49 0.00 0.00 175.26 175.94 3kpl s GLY 56 N 0.90 1.44 0.52 -1.39 0.00 -1.26 -4.85 107.32 102.69 3kpl s GLY 56 Ca 0.60 -0.76 0.22 0.00 0.00 0.00 0.00 44.72 44.78 3kpl s GLY 56 CO 0.31 0.21 2.13 -0.56 0.00 0.00 0.00 173.10 175.18 3kpl h PRO 57 N -3.27 0.00 -0.45 2.90 0.13 -1.96 -2.73 132.00 126.62 3kpl h PRO 57 Ca -0.46 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 3kpl h PRO 57 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 3kpl h PRO 57 CO 0.31 0.07 -0.25 1.05 -0.23 0.00 0.00 178.00 178.96 3kpl h GLU 58 N 0.00 0.97 -0.34 0.86 9.09 -2.00 -1.85 114.58 121.32 3kpl h GLU 58 Ca -0.00 -0.44 0.07 0.00 0.05 0.00 0.00 59.36 59.05 3kpl h GLU 58 Cb 0.16 -0.02 -0.08 0.00 -1.65 0.00 0.00 28.75 27.16 3kpl h GLU 58 CO 0.01 1.11 -0.23 -0.92 0.05 0.00 0.00 179.01 179.02 3kpl h TYR 59 N 0.82 -0.61 -0.41 2.06 3.20 -1.82 -1.56 116.97 118.64 3kpl h TYR 59 Ca 0.10 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 3kpl h TYR 59 Cb 0.83 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 3kpl h TYR 59 CO 0.06 -0.31 -0.05 -1.49 -1.64 0.00 0.00 178.16 174.73 3kpl h TRP 60 N -0.19 0.83 -0.15 -3.82 4.06 -1.53 0.17 115.95 115.31 3kpl h TRP 60 Ca 0.17 -0.16 0.05 0.00 2.06 0.00 0.00 58.89 61.01 3kpl h TRP 60 Cb 0.46 -0.21 -0.06 0.00 -1.00 0.00 0.00 29.16 28.35 3kpl h TRP 60 CO -0.43 0.85 -0.20 -0.44 -3.56 0.00 0.00 178.44 174.66 3kpl h ASP 61 N 0.57 -0.61 -0.50 -3.49 3.32 -1.22 0.15 116.42 114.64 3kpl h ASP 61 Ca 0.11 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 3kpl h ASP 61 Cb 0.55 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 3kpl h ASP 61 CO 0.03 -0.24 -0.09 -0.09 -1.72 0.00 0.00 179.24 177.12 3kpl h ARG 62 N -0.24 0.95 -0.41 3.56 2.43 -1.05 -0.32 114.38 119.30 3kpl h ARG 62 Ca 0.11 -0.35 -0.12 0.00 -0.81 0.00 0.00 59.98 58.80 3kpl h ARG 62 Cb 0.40 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3kpl h ARG 62 CO -0.29 1.01 -0.23 0.93 -1.51 0.00 0.00 179.97 179.88 3kpl h GLU 63 N 0.81 0.88 -0.39 0.20 4.39 -0.88 -2.05 114.58 117.54 3kpl h GLU 63 Ca 0.13 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 3kpl h GLU 63 Cb 0.65 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3kpl h GLU 63 CO 0.04 1.04 0.24 1.15 -1.16 0.00 0.00 179.01 180.33 3kpl h THR 64 N 0.70 1.12 -0.66 1.13 2.02 -0.53 -2.49 112.91 114.20 3kpl h THR 64 Ca 0.09 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3kpl h THR 64 Cb 0.80 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3kpl h THR 64 CO 0.07 0.12 0.37 -0.61 0.37 0.00 0.00 175.52 175.84 3kpl h GLN 65 N 0.51 0.91 -0.10 6.66 5.75 -0.98 -0.38 115.11 127.49 3kpl h GLN 65 Ca 0.14 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.57 3kpl h GLN 65 Cb -0.00 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 3kpl h GLN 65 CO -0.03 0.66 -0.02 0.82 -2.65 0.00 0.00 178.83 177.61 3kpl h ILE 66 N 0.92 0.90 -0.39 2.39 2.04 -1.18 -1.98 117.51 120.21 3kpl h ILE 66 Ca 0.24 -0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.96 3kpl h ILE 66 Cb 0.01 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3kpl h ILE 66 CO -0.04 0.00 -0.29 0.28 0.00 0.00 0.00 178.15 178.10 3kpl h SER 67 N 0.00 0.86 -0.72 1.72 0.02 -0.97 -0.80 113.55 113.66 3kpl h SER 67 Ca 0.05 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.60 3kpl h SER 67 Cb 0.07 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 3kpl h SER 67 CO -0.10 1.09 0.27 0.11 -1.14 0.00 0.00 176.83 177.07 3kpl h LYS 68 N 0.70 1.08 -0.49 3.45 1.57 -1.01 0.27 116.57 122.15 3kpl h LYS 68 Ca 0.08 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 3kpl h LYS 68 Cb 0.84 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3kpl h LYS 68 CO 0.07 0.90 -0.19 1.15 -0.57 0.00 0.00 179.45 180.82 3kpl h THR 69 N 1.04 1.27 -0.60 -0.16 2.02 -1.28 -2.84 112.91 112.35 3kpl h THR 69 Ca 0.24 -1.34 0.04 0.00 0.77 0.00 0.00 66.41 66.11 3kpl h THR 69 Cb 0.23 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 3kpl h THR 69 CO -0.02 0.47 0.40 0.78 0.37 0.00 0.00 175.52 177.52 3kpl h ASN 70 N 0.85 0.59 -0.68 4.18 -0.26 -0.77 -1.17 115.58 118.34 3kpl h ASN 70 Ca 0.12 -0.01 0.10 0.00 -0.56 0.00 0.00 56.30 55.95 3kpl h ASN 70 Cb 0.75 -0.14 -0.07 0.00 -1.06 0.00 0.00 38.32 37.81 3kpl h ASN 70 CO 0.06 0.41 0.31 0.74 -1.06 0.00 0.00 177.43 177.89 3kpl h THR 71 N 0.69 0.81 -0.13 2.81 2.02 -0.70 -0.88 112.91 117.54 3kpl h THR 71 Ca 0.24 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 67.14 3kpl h THR 71 Cb 0.11 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3kpl h THR 71 CO -0.07 0.10 -0.32 1.56 0.37 0.00 0.00 175.52 177.16 3kpl h GLN 72 N 0.53 0.44 -0.30 6.66 1.08 -1.35 -2.84 115.11 119.34 3kpl h GLN 72 Ca 0.34 -0.30 0.07 0.00 -1.45 0.00 0.00 58.65 57.31 3kpl h GLN 72 Cb 0.39 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.78 3kpl h GLN 72 CO -0.29 0.91 -0.23 1.15 -0.95 0.00 0.00 178.83 179.43 3kpl h THR 73 N 0.04 0.39 0.00 -0.54 2.02 -1.02 -1.76 112.91 112.03 3kpl h THR 73 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3kpl h THR 73 Cb 0.92 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3kpl h THR 73 CO 0.07 0.00 -0.11 1.88 0.37 0.00 0.00 175.52 177.73 3kpl h TYR 74 N -0.21 0.00 -0.24 3.16 0.05 -1.21 -0.14 116.97 118.38 3kpl h TYR 74 Ca 0.16 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 3kpl h TYR 74 Cb 0.45 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 3kpl h TYR 74 CO -0.41 0.11 -0.21 0.00 -1.05 0.00 0.00 178.16 176.60 3kpl h ARG 75 N 0.00 0.56 -0.04 4.88 3.08 -1.25 -1.41 114.38 120.21 3kpl h ARG 75 Ca -0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3kpl h ARG 75 Cb 0.81 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 3kpl h ARG 75 CO 0.01 0.87 0.01 1.49 -1.07 0.00 0.00 179.97 181.28 3kpl h GLU 76 N 0.26 0.02 -0.72 0.04 4.81 -0.90 -2.13 114.58 115.97 3kpl h GLU 76 Ca 0.04 -0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.42 3kpl h GLU 76 Cb 0.76 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.03 3kpl h GLU 76 CO 0.05 0.02 0.19 -0.91 -0.73 0.00 0.00 179.01 177.63 3kpl h ASN 77 N 0.02 0.05 -0.90 1.04 -0.26 -1.02 0.22 115.58 114.73 3kpl h ASN 77 Ca 0.02 0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3kpl h ASN 77 Cb 0.01 0.17 -0.04 0.00 -1.06 0.00 0.00 38.32 37.40 3kpl h ASN 77 CO -0.02 -0.01 0.58 -0.07 -1.06 0.00 0.00 177.43 176.85 3kpl h LEU 78 N 0.29 1.05 -0.44 1.61 3.38 -1.04 0.33 115.31 120.50 3kpl h LEU 78 Ca 0.40 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 3kpl h LEU 78 Cb 0.66 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3kpl h LEU 78 CO -0.48 0.78 0.01 0.03 0.09 0.00 0.00 178.44 178.87 3kpl h ARG 79 N 1.23 0.77 0.32 1.13 3.08 -0.49 -2.32 114.38 118.09 3kpl h ARG 79 Ca 0.33 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3kpl h ARG 79 Cb -0.11 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3kpl h ARG 79 CO -0.07 0.83 -0.15 1.15 -1.07 0.00 0.00 179.97 180.66 3kpl h THR 80 N 0.61 0.71 -0.83 2.04 2.02 -0.19 -2.80 112.91 114.48 3kpl h THR 80 Ca 0.13 -0.19 0.18 0.00 0.77 0.00 0.00 66.41 67.30 3kpl h THR 80 Cb 0.48 0.81 -0.11 0.00 -1.74 0.00 0.00 68.15 67.59 3kpl h THR 80 CO 0.02 0.04 0.31 0.00 0.37 0.00 0.00 175.52 176.26 3kpl h ALA 81 N 0.13 1.22 -0.73 6.16 0.00 -0.34 0.90 119.26 126.59 3kpl h ALA 81 Ca -0.04 0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3kpl h ALA 81 Cb 0.39 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 3kpl h ALA 81 CO 0.07 -0.30 0.36 -0.07 0.00 0.00 0.00 179.25 179.31 3kpl h LEU 82 N 0.38 0.44 -0.17 0.00 3.38 -1.21 -1.85 115.31 116.28 3kpl h LEU 82 Ca 0.49 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.46 3kpl h LEU 82 Cb 0.86 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3kpl h LEU 82 CO -0.50 0.24 -0.14 0.03 0.09 0.00 0.00 178.44 178.16 3kpl h ARG 83 N 0.58 0.40 -0.05 1.13 3.08 -0.64 -0.76 114.38 118.13 3kpl h ARG 83 Ca 0.37 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 60.23 3kpl h ARG 83 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3kpl h ARG 83 CO -0.30 0.75 0.08 1.88 -1.07 0.00 0.00 179.97 181.31 3kpl h TYR 84 N 0.05 0.00 -0.15 3.04 -1.99 -0.83 -2.57 116.97 114.52 3kpl h TYR 84 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3kpl h TYR 84 Cb 0.67 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.40 3kpl h TYR 84 CO 0.08 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.90 3kpl n TYR 85 N -3.51 0.37 -4.18 4.88 4.01 -0.72 -4.77 117.16 113.23 3kpl n TYR 85 Ca -0.02 -0.74 -0.32 0.00 -0.16 0.00 0.00 57.90 56.66 3kpl n TYR 85 Cb 0.16 -0.15 -0.05 0.00 -0.31 0.00 0.00 39.34 39.00 3kpl n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3kpl n ASN 86 N -0.53 -1.01 -4.93 7.72 3.02 -0.97 -4.95 115.26 113.61 3kpl n ASN 86 Ca 0.13 -1.10 -0.27 0.00 -0.03 0.00 0.00 54.58 53.30 3kpl n ASN 86 Cb 0.58 -2.45 -0.03 0.00 -0.61 0.00 0.00 39.78 37.26 3kpl n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kpl s GLN 87 N -6.94 3.50 0.61 3.52 -0.21 -0.33 -5.05 119.66 114.76 3kpl s GLN 87 Ca 0.30 -0.39 -0.13 0.00 0.02 0.00 0.00 55.36 55.16 3kpl s GLN 87 Cb -0.17 -2.88 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 3kpl s GLN 87 CO 0.94 0.44 1.03 -1.54 -2.12 0.00 0.00 175.29 174.04 3kpl s SER 88 N -3.12 6.09 0.00 5.90 1.04 -1.26 -4.78 113.70 117.57 3kpl s SER 88 Ca 0.37 1.54 0.22 0.00 0.48 0.00 0.00 55.95 58.56 3kpl s SER 88 Cb -0.11 -2.49 1.13 0.00 0.10 0.00 0.00 66.02 64.65 3kpl s SER 88 CO 0.29 -0.96 1.75 -0.62 0.98 0.00 0.00 173.24 174.68 3kpl n GLU 89 N -2.49 1.21 0.00 4.02 1.02 -1.26 -3.76 120.64 119.38 3kpl n GLU 89 Ca 0.07 -0.32 0.12 0.00 -0.02 0.00 0.00 57.16 57.01 3kpl n GLU 89 Cb 0.54 -1.36 0.16 0.00 -0.02 0.00 0.00 31.44 30.76 3kpl n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kpl n ALA 90 N -0.50 3.80 -2.93 0.62 0.00 -1.26 -4.79 120.51 115.46 3kpl n ALA 90 Ca 0.16 -0.44 -0.25 0.00 0.00 0.00 0.00 53.44 52.91 3kpl n ALA 90 Cb 0.15 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 3kpl n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kpl s GLY 91 N -2.91 1.63 0.02 0.00 0.00 -1.25 -4.79 107.32 100.03 3kpl s GLY 91 Ca 0.12 -1.05 -0.19 0.00 0.00 0.00 0.00 44.72 43.60 3kpl s GLY 91 CO 0.71 -1.05 0.56 -0.56 0.00 0.00 0.00 173.10 172.77 3kpl s SER 92 N -3.35 6.97 0.05 1.64 0.01 -1.26 -4.63 113.70 113.14 3kpl s SER 92 Ca 0.35 1.16 -0.00 0.00 1.31 0.00 0.00 55.95 58.76 3kpl s SER 92 Cb -0.11 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 3kpl s SER 92 CO 0.29 0.18 -0.04 -1.00 0.41 0.00 0.00 173.24 173.08 3kpl s HIS 93 N -0.57 0.56 -0.04 2.43 3.76 -1.25 -4.95 115.29 115.21 3kpl s HIS 93 Ca 0.29 -0.92 0.02 0.00 -0.15 0.00 0.00 55.06 54.29 3kpl s HIS 93 Cb -0.18 -0.38 0.01 0.00 1.11 0.00 0.00 32.58 33.14 3kpl s HIS 93 CO 0.17 -0.29 -0.08 0.42 -0.85 0.00 0.00 174.74 174.11 3kpl s ILE 94 N -3.34 0.76 -0.13 0.60 1.01 -1.26 -0.28 121.20 118.56 3kpl s ILE 94 Ca 0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 3kpl s ILE 94 Cb 0.04 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 3kpl s ILE 94 CO -0.07 0.26 0.03 -0.63 0.00 0.00 0.00 174.94 174.53 3kpl s ILE 95 N 0.63 4.51 0.06 2.92 1.01 0.30 -0.59 121.20 130.04 3kpl s ILE 95 Ca -0.10 -0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.48 3kpl s ILE 95 Cb -0.13 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 3kpl s ILE 95 CO 0.01 0.55 -0.24 -1.10 0.00 0.00 0.00 174.94 174.16 3kpl s GLN 96 N -0.32 1.83 -0.00 2.79 -0.21 0.02 -1.01 119.66 122.76 3kpl s GLN 96 Ca 0.07 -1.11 0.01 0.00 0.02 0.00 0.00 55.36 54.36 3kpl s GLN 96 Cb -0.12 -2.03 -0.00 0.00 1.00 0.00 0.00 33.01 31.85 3kpl s GLN 96 CO 0.02 0.51 -0.04 0.50 -2.12 0.00 0.00 175.29 174.16 3kpl s ARG 97 N -1.42 0.32 -0.06 2.91 3.52 -0.82 -0.12 118.95 123.27 3kpl s ARG 97 Ca 0.13 -0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 3kpl s ARG 97 Cb -0.10 -0.31 0.02 0.00 -1.56 0.00 0.00 34.95 33.00 3kpl s ARG 97 CO 0.04 0.08 -0.05 0.00 -0.81 0.00 0.00 175.30 174.56 3kpl s MET 98 N -0.06 0.97 0.07 5.12 0.23 -0.45 -0.63 119.30 124.54 3kpl s MET 98 Ca 0.01 -0.11 -0.00 0.00 -1.03 0.00 0.00 55.69 54.56 3kpl s MET 98 Cb -0.02 -1.04 -0.04 0.00 -1.53 0.00 0.00 34.83 32.20 3kpl s MET 98 CO -0.00 -0.15 -0.04 1.52 -2.03 0.00 0.00 175.02 174.32 3kpl s TYR 99 N 1.27 0.64 -5.00 3.16 1.13 -1.01 -1.67 117.35 115.88 3kpl s TYR 99 Ca -0.05 -1.03 0.00 0.00 -1.41 0.00 0.00 57.07 54.58 3kpl s TYR 99 Cb -0.14 -0.43 0.00 0.00 -1.10 0.00 0.00 41.96 40.29 3kpl s TYR 99 CO -0.02 -0.32 0.00 0.41 -2.51 0.00 0.00 175.55 173.11 3kpl n GLY 100 N 0.06 -1.29 3.11 5.49 0.00 -0.83 -1.40 105.19 110.31 3kpl n GLY 100 Ca -0.13 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 3kpl n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpl s ASP 102 N -1.44 5.19 0.16 0.00 1.01 0.37 -0.95 116.67 121.02 3kpl s ASP 102 Ca -0.04 0.09 0.11 0.00 0.71 0.00 0.00 52.55 53.42 3kpl s ASP 102 Cb -0.09 -1.57 -0.04 0.00 1.01 0.00 0.00 42.92 42.23 3kpl s ASP 102 CO 0.01 0.32 -0.24 0.68 0.21 0.00 0.00 175.17 176.15 3kpl s VAL 103 N -0.54 2.21 0.79 -1.27 -7.23 -0.00 0.66 120.40 115.02 3kpl s VAL 103 Ca 0.09 -1.90 -0.07 0.00 -1.81 0.00 0.00 61.98 58.29 3kpl s VAL 103 Cb -0.12 -2.01 0.17 0.00 0.56 0.00 0.00 36.38 34.98 3kpl s VAL 103 CO 0.02 -0.07 1.08 0.61 -0.31 0.00 0.00 175.10 176.42 3kpl n GLY 104 N 0.52 -0.30 0.38 2.32 0.00 -0.57 -1.81 105.19 105.72 3kpl n GLY 104 Ca -0.15 -1.88 0.20 0.00 0.00 0.00 0.00 46.02 44.19 3kpl n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kpl h PRO 105 N 0.00 0.00 -0.15 1.61 0.11 -1.86 0.19 132.00 131.90 3kpl h PRO 105 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kpl h PRO 105 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kpl h PRO 105 CO 0.31 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.70 3kpl n ASP 106 N -3.95 2.32 0.00 -2.05 5.75 -1.26 -4.86 116.55 112.50 3kpl n ASP 106 Ca 0.07 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 3kpl n ASP 106 Cb 0.56 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 3kpl n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kpl n GLY 107 N 1.28 0.66 3.81 6.12 0.00 0.67 -5.04 105.19 112.68 3kpl n GLY 107 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3kpl n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kpl s ARG 108 N -0.24 4.32 0.07 1.61 0.52 -1.26 -4.75 118.95 119.22 3kpl s ARG 108 Ca 0.00 1.05 -0.33 0.00 -0.52 0.00 0.00 55.73 55.92 3kpl s ARG 108 Cb 0.00 -2.61 -0.13 0.00 0.52 0.00 0.00 34.95 32.73 3kpl s ARG 108 CO 0.00 0.22 1.73 -0.11 0.02 0.00 0.00 175.30 177.16 3kpl n LEU 109 N 0.17 3.40 -0.11 2.53 7.94 -1.26 -1.52 117.00 128.15 3kpl n LEU 109 Ca 0.02 1.03 -0.25 0.00 -1.11 0.00 0.00 56.01 55.70 3kpl n LEU 109 Cb 0.52 -1.43 -0.11 0.00 0.53 0.00 0.00 43.42 42.92 3kpl n LEU 109 CO 0.42 -0.12 -1.00 -0.11 -1.11 0.00 0.00 177.39 175.47 3kpl n LEU 110 N 4.93 2.08 -3.54 -1.96 7.94 0.21 -4.84 117.00 121.81 3kpl n LEU 110 Ca 0.19 0.32 -0.09 0.00 -1.11 0.00 0.00 56.01 55.32 3kpl n LEU 110 Cb 0.31 -0.92 -0.03 0.00 0.53 0.00 0.00 43.42 43.31 3kpl n LEU 110 CO 0.67 0.51 0.74 0.00 -1.11 0.00 0.00 177.39 178.20 3kpl s ARG 111 N -2.46 0.71 0.18 1.96 1.70 -0.99 -4.98 118.95 115.07 3kpl s ARG 111 Ca -0.33 -0.11 0.08 0.00 -0.47 0.00 0.00 55.73 54.90 3kpl s ARG 111 Cb 0.10 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 3kpl s ARG 111 CO 0.57 -0.28 -0.02 0.20 -1.08 0.00 0.00 175.30 174.69 3kpl s GLY 112 N -1.94 1.72 0.04 3.88 0.00 -1.26 -0.48 107.32 109.29 3kpl s GLY 112 Ca 0.03 -1.42 0.02 0.00 0.00 0.00 0.00 44.72 43.34 3kpl s GLY 112 CO -0.04 -1.44 -0.07 -0.19 0.00 0.00 0.00 173.10 171.35 3kpl s TYR 113 N -1.78 0.65 -0.33 1.90 1.51 0.20 -4.83 117.35 114.67 3kpl s TYR 113 Ca 0.27 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 3kpl s TYR 113 Cb -0.09 -0.39 0.19 0.00 -0.11 0.00 0.00 41.96 41.56 3kpl s TYR 113 CO 0.18 -0.10 0.77 0.34 -1.11 0.00 0.00 175.55 175.63 3kpl s ASP 114 N -1.71 -1.14 -0.01 2.29 2.15 -1.25 -1.97 116.67 115.03 3kpl s ASP 114 Ca -0.09 -0.15 0.06 0.00 0.43 0.00 0.00 52.55 52.80 3kpl s ASP 114 Cb -0.08 1.60 -0.02 0.00 -0.30 0.00 0.00 42.92 44.12 3kpl s ASP 114 CO -0.00 -0.18 -0.19 -1.10 -0.17 0.00 0.00 175.17 173.53 3kpl s GLN 115 N 2.47 1.54 0.06 4.34 -0.21 -0.67 -0.45 119.66 126.74 3kpl s GLN 115 Ca 0.16 -0.71 0.09 0.00 0.02 0.00 0.00 55.36 54.92 3kpl s GLN 115 Cb -0.05 -1.50 -0.03 0.00 1.00 0.00 0.00 33.01 32.43 3kpl s GLN 115 CO -0.19 0.41 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.66 3kpl s ASP 116 N -0.53 3.49 0.05 5.90 1.11 0.12 -1.34 116.67 125.47 3kpl s ASP 116 Ca 0.07 -0.55 0.04 0.00 0.18 0.00 0.00 52.55 52.29 3kpl s ASP 116 Cb -0.08 -0.42 -0.02 0.00 1.07 0.00 0.00 42.92 43.47 3kpl s ASP 116 CO -0.00 0.24 -0.12 0.00 1.18 0.00 0.00 175.17 176.46 3kpl s ALA 117 N -0.92 1.02 -0.15 5.23 0.00 0.82 -0.97 121.76 126.79 3kpl s ALA 117 Ca 0.14 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3kpl s ALA 117 Cb -0.10 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3kpl s ALA 117 CO 0.05 0.14 -0.16 -0.47 0.00 0.00 0.00 175.76 175.32 3kpl s TYR 118 N -1.11 2.30 -1.40 0.00 5.04 0.74 -0.80 117.35 122.12 3kpl s TYR 118 Ca -0.02 -1.28 -0.08 0.00 -2.44 0.00 0.00 57.07 53.25 3kpl s TYR 118 Cb -0.09 -1.65 0.05 0.00 0.35 0.00 0.00 41.96 40.61 3kpl s TYR 118 CO 0.01 -0.67 0.58 -0.25 -1.34 0.00 0.00 175.55 173.88 3kpl n ASP 119 N 4.63 -4.73 0.00 4.32 8.00 0.25 -1.66 116.55 127.35 3kpl n ASP 119 Ca -0.18 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 54.94 3kpl n ASP 119 Cb 0.50 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 3kpl n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpl n GLY 120 N -1.35 0.85 3.74 0.44 0.00 -1.26 -5.03 105.19 102.57 3kpl n GLY 120 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3kpl n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpl s LYS 121 N -0.28 3.02 0.25 1.61 1.02 -0.67 -5.07 119.74 119.63 3kpl s LYS 121 Ca 0.00 -0.45 -0.29 0.00 0.02 0.00 0.00 55.97 55.24 3kpl s LYS 121 Cb 0.00 -2.83 -0.15 0.00 -0.52 0.00 0.00 37.83 34.33 3kpl s LYS 121 CO 0.00 0.67 1.05 -0.25 -0.92 0.00 0.00 175.35 175.91 3kpl n ASP 122 N 1.59 1.30 0.00 2.83 8.00 -1.26 -0.19 116.55 128.82 3kpl n ASP 122 Ca -0.16 1.17 -0.00 0.00 0.71 0.00 0.00 54.79 56.51 3kpl n ASP 122 Cb 0.53 -1.26 -0.00 0.00 -0.02 0.00 0.00 41.12 40.37 3kpl n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kpl n TYR 123 N 0.64 0.00 -3.85 1.24 9.36 -0.14 -4.64 117.16 119.76 3kpl n TYR 123 Ca 0.11 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.21 3kpl n TYR 123 Cb 0.30 -0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.88 3kpl n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3kpl s ILE 124 N -1.02 0.02 -0.02 2.97 2.07 -1.12 -1.02 121.20 123.07 3kpl s ILE 124 Ca -0.00 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 3kpl s ILE 124 Cb 0.00 -0.19 0.02 0.00 0.13 0.00 0.00 42.46 42.43 3kpl s ILE 124 CO 0.00 -0.08 0.01 0.00 -1.91 0.00 0.00 174.94 172.97 3kpl s ALA 125 N -0.21 0.17 0.18 1.50 0.00 -0.58 0.12 121.76 122.95 3kpl s ALA 125 Ca -0.03 0.20 -0.32 0.00 0.00 0.00 0.00 51.96 51.81 3kpl s ALA 125 Cb -0.02 -0.24 -0.11 0.00 0.00 0.00 0.00 23.12 22.75 3kpl s ALA 125 CO 0.00 -0.07 1.66 -1.17 0.00 0.00 0.00 175.76 176.18 3kpl s LEU 126 N 0.87 4.37 0.90 0.00 2.96 0.40 -1.18 118.68 127.00 3kpl s LEU 126 Ca -0.08 2.75 -0.12 0.00 -0.22 0.00 0.00 54.13 56.46 3kpl s LEU 126 Cb -0.11 -3.60 0.13 0.00 0.50 0.00 0.00 46.19 43.11 3kpl s LEU 126 CO -0.02 -0.91 1.10 0.20 -1.32 0.00 0.00 176.35 175.40 3kpl s ASN 127 N 1.25 3.54 0.56 3.68 0.01 0.20 -4.56 114.94 119.62 3kpl s ASN 127 Ca 0.73 1.28 0.29 0.00 -0.71 0.00 0.00 52.86 54.45 3kpl s ASN 127 Cb -0.47 -1.95 1.67 0.00 0.41 0.00 0.00 41.25 40.91 3kpl s ASN 127 CO 0.32 -2.57 2.18 -0.08 -1.51 0.00 0.00 177.10 175.44 3kpl h GLU 128 N -1.50 0.00 0.00 -0.60 4.81 -1.88 -0.65 114.58 114.76 3kpl h GLU 128 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3kpl h GLU 128 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3kpl h GLU 128 CO 0.58 0.05 0.00 -0.40 -0.73 0.00 0.00 179.01 178.51 3kpl n ASP 129 N -3.74 0.69 -1.97 1.04 5.68 -1.26 -4.77 116.55 112.23 3kpl n ASP 129 Ca -0.02 0.64 -0.18 0.00 -0.50 0.00 0.00 54.79 54.73 3kpl n ASP 129 Cb 0.15 -0.80 -0.02 0.00 -1.14 0.00 0.00 41.12 39.31 3kpl n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kpl n LEU 130 N -2.24 -1.75 0.00 -2.12 4.77 -0.25 -4.79 117.00 110.62 3kpl n LEU 130 Ca 0.03 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3kpl n LEU 130 Cb 0.27 -2.62 0.00 0.00 -2.33 0.00 0.00 43.42 38.75 3kpl n LEU 130 CO 0.22 -0.31 0.00 -1.54 -1.33 0.00 0.00 177.39 174.43 3kpl n SER 131 N -1.39 0.00 -4.37 -1.43 3.41 -1.26 -4.51 113.62 104.07 3kpl n SER 131 Ca -0.21 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.21 3kpl n SER 131 Cb 0.65 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.50 3kpl n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kpl s SER 132 N 0.00 2.20 0.11 4.04 1.04 -1.26 -4.92 113.70 114.91 3kpl s SER 132 Ca 0.00 -1.22 0.10 0.00 0.48 0.00 0.00 55.95 55.31 3kpl s SER 132 Cb 0.00 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 3kpl s SER 132 CO 0.00 -0.46 -0.24 0.26 0.98 0.00 0.00 173.24 173.78 3kpl s TRP 133 N -3.26 2.39 -0.25 5.02 0.52 -1.26 -0.63 118.94 121.46 3kpl s TRP 133 Ca 0.29 -0.34 -0.05 0.00 0.02 0.00 0.00 56.10 56.02 3kpl s TRP 133 Cb 0.05 -1.32 0.00 0.00 -1.15 0.00 0.00 33.47 31.06 3kpl s TRP 133 CO 0.10 0.31 0.00 0.99 0.02 0.00 0.00 176.95 178.38 3kpl s THR 134 N -1.03 3.54 -0.14 2.01 2.01 -0.32 -4.88 115.64 116.82 3kpl s THR 134 Ca 0.15 -0.66 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 3kpl s THR 134 Cb -0.10 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 3kpl s THR 134 CO 0.06 0.25 0.12 0.00 -0.69 0.00 0.00 174.62 174.36 3kpl s ALA 135 N 1.46 3.74 -0.20 7.40 0.00 -1.26 -1.52 121.76 131.37 3kpl s ALA 135 Ca 0.03 -0.68 0.20 0.00 0.00 0.00 0.00 51.96 51.52 3kpl s ALA 135 Cb -0.16 -1.96 0.38 0.00 0.00 0.00 0.00 23.12 21.38 3kpl s ALA 135 CO -0.01 0.48 1.60 0.00 0.00 0.00 0.00 175.76 177.83 3kpl h ALA 136 N 5.52 0.87 -2.85 0.00 0.00 -1.34 -3.47 119.26 117.99 3kpl h ALA 136 Ca -0.50 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.21 3kpl h ALA 136 Cb 1.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kpl h ALA 136 CO 0.63 0.31 0.35 -0.40 0.00 0.00 0.00 179.25 180.14 3kpl n ASP 137 N -3.20 -2.09 0.27 0.00 5.68 -1.26 -5.02 116.55 110.93 3kpl n ASP 137 Ca 0.02 -2.37 0.13 0.00 -0.50 0.00 0.00 54.79 52.08 3kpl n ASP 137 Cb 0.59 3.47 0.75 0.00 -1.14 0.00 0.00 41.12 44.78 3kpl n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3kpl h THR 138 N 1.96 0.54 0.12 2.12 1.35 -1.99 -1.19 112.91 115.82 3kpl h THR 138 Ca -0.31 -0.47 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 3kpl h THR 138 Cb 1.19 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3kpl h THR 138 CO 0.40 0.10 -0.06 0.00 -0.25 0.00 0.00 175.52 175.71 3kpl h ALA 139 N 1.90 -0.16 0.00 6.62 0.00 -1.96 -3.16 119.26 122.50 3kpl h ALA 139 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3kpl h ALA 139 Cb 0.30 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kpl h ALA 139 CO 0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 179.25 178.82 3kpl h ALA 140 N 0.16 1.50 0.00 0.00 0.00 -1.74 -1.87 119.26 117.32 3kpl h ALA 140 Ca -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3kpl h ALA 140 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3kpl h ALA 140 CO 0.03 0.11 -0.18 1.96 0.00 0.00 0.00 179.25 181.17 3kpl h GLN 141 N 0.00 0.00 -0.22 0.00 4.20 -1.21 0.12 115.11 118.00 3kpl h GLN 141 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3kpl h GLN 141 Cb 0.20 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3kpl h GLN 141 CO 0.01 0.18 -0.05 0.82 -0.67 0.00 0.00 178.83 179.12 3kpl h ILE 142 N 0.00 1.28 -0.75 2.54 1.08 -1.31 -2.25 117.51 118.10 3kpl h ILE 142 Ca -0.00 -1.04 -0.05 0.00 -0.39 0.00 0.00 64.86 63.38 3kpl h ILE 142 Cb 0.36 1.51 -0.03 0.00 -3.07 0.00 0.00 36.82 35.58 3kpl h ILE 142 CO 0.02 0.32 0.28 0.74 -0.69 0.00 0.00 178.15 178.82 3kpl h THR 143 N 0.16 1.26 -0.54 -0.27 2.02 -1.45 -2.49 112.91 111.59 3kpl h THR 143 Ca 0.06 -0.84 0.05 0.00 0.77 0.00 0.00 66.41 66.45 3kpl h THR 143 Cb 0.50 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 3kpl h THR 143 CO 0.02 0.34 0.26 -0.61 0.37 0.00 0.00 175.52 175.90 3kpl h GLN 144 N 1.10 0.49 -0.76 6.66 4.15 -0.72 -0.01 115.11 126.03 3kpl h GLN 144 Ca 0.25 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 3kpl h GLN 144 Cb 0.24 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 3kpl h GLN 144 CO -0.02 0.32 0.29 0.00 -1.93 0.00 0.00 178.83 177.50 3kpl h ARG 145 N 0.51 1.14 -0.40 1.69 3.08 -1.21 0.45 114.38 119.63 3kpl h ARG 145 Ca 0.25 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3kpl h ARG 145 Cb 0.18 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3kpl h ARG 145 CO -0.18 0.94 -0.01 0.87 -1.07 0.00 0.00 179.97 180.52 3kpl h LYS 146 N 1.11 0.71 -0.17 0.04 1.57 -1.10 -1.34 116.57 117.38 3kpl h LYS 146 Ca 0.25 -0.23 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 3kpl h LYS 146 Cb 0.23 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3kpl h LYS 146 CO -0.02 0.80 -0.56 -1.49 -0.57 0.00 0.00 179.45 177.61 3kpl h TRP 147 N 0.53 0.65 -0.35 -1.35 4.06 -0.73 -1.54 115.95 117.23 3kpl h TRP 147 Ca 0.11 -0.23 -0.01 0.00 2.06 0.00 0.00 58.89 60.81 3kpl h TRP 147 Cb 0.48 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.51 3kpl h TRP 147 CO 0.04 0.96 0.16 0.93 -3.56 0.00 0.00 178.44 176.97 3kpl h GLU 148 N 0.40 0.51 -0.08 0.49 5.08 -0.05 -1.78 114.58 119.14 3kpl h GLU 148 Ca 0.01 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3kpl h GLU 148 Cb 1.10 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3kpl h GLU 148 CO 0.10 0.47 -0.16 0.00 -1.00 0.00 0.00 179.01 178.42 3kpl h ALA 149 N 1.01 1.58 -0.61 3.43 0.00 -1.06 -2.87 119.26 120.74 3kpl h ALA 149 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kpl h ALA 149 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kpl h ALA 149 CO -0.01 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3kpl n ALA 150 N -2.49 2.40 -3.85 0.00 0.00 -0.60 -4.95 120.51 111.01 3kpl n ALA 150 Ca -0.01 -1.08 -0.29 0.00 0.00 0.00 0.00 53.44 52.06 3kpl n ALA 150 Cb 0.26 -0.95 0.03 0.00 0.00 0.00 0.00 19.45 18.80 3kpl n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kpl n ARG 151 N 1.32 -5.87 -0.04 0.00 5.12 -0.95 -4.88 116.66 111.35 3kpl n ARG 151 Ca 0.21 0.64 -0.08 0.00 -1.93 0.00 0.00 57.85 56.68 3kpl n ARG 151 Cb 0.53 -5.53 0.08 0.00 -1.16 0.00 0.00 32.46 26.38 3kpl n ARG 151 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3kpl h VAL 152 N -2.17 1.29 -0.73 1.55 2.07 -1.61 -2.75 116.25 113.90 3kpl h VAL 152 Ca -0.58 -1.53 0.08 0.00 0.82 0.00 0.00 66.70 65.48 3kpl h VAL 152 Cb 1.37 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 32.56 3kpl h VAL 152 CO 0.65 0.49 0.40 0.00 0.02 0.00 0.00 177.57 179.13 3kpl h ALA 153 N 1.04 1.01 -0.01 1.67 0.00 -1.90 -0.75 119.26 120.32 3kpl h ALA 153 Ca 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kpl h ALA 153 Cb 0.89 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3kpl h ALA 153 CO 0.08 0.05 -0.21 0.93 0.00 0.00 0.00 179.25 180.10 3kpl h GLU 154 N 0.71 0.01 0.13 0.00 3.07 -1.73 -0.84 114.58 115.93 3kpl h GLU 154 Ca 0.34 -0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.90 3kpl h GLU 154 Cb 0.27 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3kpl h GLU 154 CO -0.22 0.22 -1.44 1.96 -1.40 0.00 0.00 179.01 178.13 3kpl h GLN 155 N 0.01 0.27 -0.34 2.33 4.20 -1.32 -2.50 115.11 117.77 3kpl h GLN 155 Ca -0.00 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3kpl h GLN 155 Cb 0.38 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3kpl h GLN 155 CO 0.03 1.16 0.22 -0.44 -0.67 0.00 0.00 178.83 179.13 3kpl h ASP 156 N 0.07 0.39 -0.71 1.46 3.32 -0.76 -2.43 116.42 117.76 3kpl h ASP 156 Ca -0.21 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.78 3kpl h ASP 156 Cb 2.01 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 41.43 3kpl h ASP 156 CO 0.18 0.29 0.26 -0.09 -1.72 0.00 0.00 179.24 178.16 3kpl h ARG 157 N 0.46 1.08 -0.07 3.56 2.43 -1.23 0.32 114.38 120.92 3kpl h ARG 157 Ca 0.12 -0.21 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3kpl h ARG 157 Cb -0.05 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 3kpl h ARG 157 CO -0.03 0.90 -0.09 0.00 -1.51 0.00 0.00 179.97 179.24 3kpl h ALA 158 N 1.12 -0.04 0.30 2.80 0.00 -1.38 -0.21 119.26 121.85 3kpl h ALA 158 Ca 0.23 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kpl h ALA 158 Cb 0.24 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kpl h ALA 158 CO -0.02 -0.56 -0.24 -0.92 0.00 0.00 0.00 179.25 177.52 3kpl h TYR 159 N -0.12 -0.62 -0.61 0.00 3.20 -1.19 -2.21 116.97 115.42 3kpl h TYR 159 Ca 0.06 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 3kpl h TYR 159 Cb 0.21 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 3kpl h TYR 159 CO -0.19 -0.36 0.26 -0.07 -1.64 0.00 0.00 178.16 176.17 3kpl h LEU 160 N -0.54 0.79 0.00 2.82 3.38 -0.13 -1.83 115.31 119.79 3kpl h LEU 160 Ca -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kpl h LEU 160 Cb 0.48 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kpl h LEU 160 CO -0.01 0.69 -0.40 -0.62 0.09 0.00 0.00 178.44 178.19 3kpl n GLU 161 N -4.33 0.23 0.00 1.13 1.02 -0.11 -3.97 120.64 114.60 3kpl n GLU 161 Ca 0.05 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3kpl n GLU 161 Cb 0.15 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 3kpl n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kpl n GLY 162 N 1.36 0.55 0.29 0.62 0.00 -0.83 -4.74 105.19 102.44 3kpl n GLY 162 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3kpl n GLY 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kpl h LEU 163 N 0.00 -0.07 -0.09 0.99 5.85 -1.66 -1.08 115.31 119.25 3kpl h LEU 163 Ca 0.00 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3kpl h LEU 163 Cb 0.00 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3kpl h LEU 163 CO 0.00 -0.12 -0.21 0.00 -0.34 0.00 0.00 178.44 177.77 3kpl h VAL 165 N -0.29 1.32 -0.52 0.00 -1.51 -1.46 -2.53 116.25 111.26 3kpl h VAL 165 Ca 0.09 -1.95 -0.10 0.00 -1.23 0.00 0.00 66.70 63.51 3kpl h VAL 165 Cb 0.42 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.48 3kpl h VAL 165 CO -0.26 0.61 -0.07 -0.33 -1.23 0.00 0.00 177.57 176.29 3kpl h GLU 166 N 0.44 0.96 -0.10 5.19 5.08 -1.01 -0.26 114.58 124.87 3kpl h GLU 166 Ca -0.02 -0.34 -0.13 0.00 -1.00 0.00 0.00 59.36 57.87 3kpl h GLU 166 Cb 1.26 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.44 3kpl h GLU 166 CO 0.13 1.01 -0.44 0.66 -1.00 0.00 0.00 179.01 179.37 3kpl h SER 167 N 0.83 0.57 -0.82 1.42 4.64 -0.76 -1.80 113.55 117.62 3kpl h SER 167 Ca 0.14 -0.63 0.07 0.00 -0.47 0.00 0.00 61.79 60.89 3kpl h SER 167 Cb 0.63 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.49 3kpl h SER 167 CO 0.04 1.11 0.50 0.25 -0.87 0.00 0.00 176.83 177.85 3kpl h LEU 168 N 0.07 0.76 -0.61 5.97 5.85 -1.46 0.24 115.31 126.12 3kpl h LEU 168 Ca -0.03 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3kpl h LEU 168 Cb 1.08 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 3kpl h LEU 168 CO 0.09 0.48 0.35 0.03 -0.34 0.00 0.00 178.44 179.05 3kpl h ARG 169 N 0.89 0.65 -0.43 1.25 3.08 -0.91 -0.98 114.38 117.93 3kpl h ARG 169 Ca 0.37 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.32 3kpl h ARG 169 Cb 0.21 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3kpl h ARG 169 CO -0.19 0.43 0.03 -0.09 -1.07 0.00 0.00 179.97 179.08 3kpl h ARG 170 N 0.67 0.74 -0.77 0.04 2.43 -0.39 -2.80 114.38 114.31 3kpl h ARG 170 Ca 0.26 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3kpl h ARG 170 Cb 0.11 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3kpl h ARG 170 CO -0.14 0.80 0.36 1.88 -1.51 0.00 0.00 179.97 181.35 3kpl h TYR 171 N 0.59 1.10 -0.23 2.20 0.05 -0.38 -1.57 116.97 118.73 3kpl h TYR 171 Ca 0.13 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.76 3kpl h TYR 171 Cb 0.45 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3kpl h TYR 171 CO 0.03 0.81 -0.27 -0.07 -1.05 0.00 0.00 178.16 177.62 3kpl h LEU 172 N 1.09 0.45 -0.02 3.88 3.38 -1.14 0.17 115.31 123.12 3kpl h LEU 172 Ca 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3kpl h LEU 172 Cb 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kpl h LEU 172 CO -0.03 0.71 -0.05 -0.08 0.09 0.00 0.00 178.44 179.08 3kpl h GLU 173 N 0.40 0.06 -0.24 1.13 4.57 -1.30 -2.38 114.58 116.82 3kpl h GLU 173 Ca 0.06 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3kpl h GLU 173 Cb 0.68 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 3kpl h GLU 173 CO 0.05 0.67 0.04 -0.91 -1.18 0.00 0.00 179.01 177.68 3kpl h ASN 174 N -0.53 0.30 -0.41 1.04 2.35 -1.20 -2.89 115.58 114.24 3kpl h ASN 174 Ca -0.00 -0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 3kpl h ASN 174 Cb 0.67 -0.08 -0.10 0.00 0.05 0.00 0.00 38.32 38.86 3kpl h ASN 174 CO 0.01 0.32 0.04 0.61 -1.65 0.00 0.00 177.43 176.76 3kpl n GLY 175 N -1.20 4.56 0.30 2.83 0.00 0.04 -4.75 105.19 106.97 3kpl n GLY 175 Ca 0.00 -1.15 0.14 0.00 0.00 0.00 0.00 46.02 45.02 3kpl n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kpl h LYS 176 N 1.31 0.00 0.00 1.61 2.10 -1.20 0.39 116.57 120.77 3kpl h LYS 176 Ca 0.21 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.81 3kpl h LYS 176 Cb 1.77 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.09 3kpl h LYS 176 CO 0.44 0.00 -0.20 1.05 -2.00 0.00 0.00 179.45 178.73 3kpl h GLU 177 N 0.00 0.00 0.00 0.07 4.11 -1.86 -3.20 114.58 113.70 3kpl h GLU 177 Ca 0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.38 3kpl h GLU 177 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3kpl h GLU 177 CO -0.00 0.20 -1.19 0.25 0.07 0.00 0.00 179.01 178.34 3kpl n THR 178 N -3.42 0.19 0.11 -1.06 -2.24 -0.34 -4.44 114.28 103.08 3kpl n THR 178 Ca -0.00 -0.05 0.01 0.00 -2.27 0.00 0.00 64.05 61.74 3kpl n THR 178 Cb 0.39 -1.50 0.33 0.00 -2.10 0.00 0.00 70.33 67.46 3kpl n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kpl h LEU 179 N -0.12 0.22 -3.32 3.22 3.38 -0.48 -2.65 115.31 115.55 3kpl h LEU 179 Ca -0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3kpl h LEU 179 Cb 1.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3kpl h LEU 179 CO -0.05 0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.94 3kpl n GLN 180 N -4.18 3.70 -4.16 1.13 6.02 -1.21 -4.88 117.38 113.80 3kpl n GLN 180 Ca -0.01 -2.90 -0.34 0.00 -0.01 0.00 0.00 57.00 53.74 3kpl n GLN 180 Cb 0.34 -1.95 -0.14 0.00 1.02 0.00 0.00 30.24 29.50 3kpl n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3kpl s ARG 181 N -2.54 3.31 -0.18 -1.09 3.52 -1.00 -4.94 118.95 116.03 3kpl s ARG 181 Ca 0.46 -0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 55.26 3kpl s ARG 181 Cb 0.35 -2.84 -0.05 0.00 -1.56 0.00 0.00 34.95 30.86 3kpl s ARG 181 CO 0.14 -0.10 0.23 0.00 -0.81 0.00 0.00 175.30 174.76 3kpl s ALA 182 N 1.16 3.63 -0.28 6.12 0.00 -1.26 -4.81 121.76 126.32 3kpl s ALA 182 Ca 0.02 -0.55 -0.12 0.00 0.00 0.00 0.00 51.96 51.31 3kpl s ALA 182 Cb -0.14 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 3kpl s ALA 182 CO -0.03 0.10 0.22 -0.51 0.00 0.00 0.00 175.76 175.54 3kpl s ASP 183 N 0.46 6.06 0.58 0.00 1.01 0.24 -4.79 116.67 120.22 3kpl s ASP 183 Ca 0.13 0.04 -0.16 0.00 0.71 0.00 0.00 52.55 53.27 3kpl s ASP 183 Cb -0.12 -2.13 -0.05 0.00 1.01 0.00 0.00 42.92 41.63 3kpl s ASP 183 CO 0.02 -0.07 1.04 -2.16 0.21 0.00 0.00 175.17 174.21 3kpl s PRO 184 N 1.79 3.48 0.47 8.23 0.04 -1.26 -1.08 135.00 146.67 3kpl s PRO 184 Ca 0.08 1.12 -0.23 0.00 0.04 0.00 0.00 61.00 62.01 3kpl s PRO 184 Cb -0.16 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 3kpl s PRO 184 CO 0.11 -0.67 1.22 -1.25 0.04 0.00 0.00 177.00 176.45 3kpl s PRO 185 N -4.14 3.64 -0.07 0.56 0.04 -1.26 -4.37 135.00 129.39 3kpl s PRO 185 Ca 0.62 1.92 -0.24 0.00 0.04 0.00 0.00 61.00 63.34 3kpl s PRO 185 Cb -0.14 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 3kpl s PRO 185 CO 0.36 -0.69 0.72 0.15 0.04 0.00 0.00 177.00 177.58 3kpl s LYS 186 N -2.69 4.43 -0.03 4.56 1.02 0.21 -4.85 119.74 122.39 3kpl s LYS 186 Ca 0.65 0.90 0.04 0.00 0.02 0.00 0.00 55.97 57.57 3kpl s LYS 186 Cb -0.32 -3.46 -0.00 0.00 -0.52 0.00 0.00 37.83 33.52 3kpl s LYS 186 CO 0.39 0.03 -0.14 0.95 -0.92 0.00 0.00 175.35 175.66 3kpl s THR 187 N 0.92 1.12 0.11 2.17 -4.23 -1.26 -0.30 115.64 114.18 3kpl s THR 187 Ca 0.38 -0.57 -0.14 0.00 -1.18 0.00 0.00 61.69 60.17 3kpl s THR 187 Cb -0.18 -0.96 0.03 0.00 1.34 0.00 0.00 72.50 72.73 3kpl s THR 187 CO 0.18 0.33 0.35 -1.38 -0.54 0.00 0.00 174.62 173.55 3kpl s HIS 188 N -0.07 -0.12 -0.15 3.99 -3.43 -1.16 -4.99 115.29 109.37 3kpl s HIS 188 Ca 0.00 -0.22 -0.02 0.00 -0.80 0.00 0.00 55.06 54.02 3kpl s HIS 188 Cb -0.08 0.18 -0.02 0.00 -1.43 0.00 0.00 32.58 31.22 3kpl s HIS 188 CO 0.01 -0.66 -0.07 0.08 -2.00 0.00 0.00 174.74 172.10 3kpl s VAL 189 N -3.76 3.58 0.24 -5.38 1.01 -1.26 -0.63 120.40 114.20 3kpl s VAL 189 Ca 0.03 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.62 3kpl s VAL 189 Cb 0.02 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3kpl s VAL 189 CO -0.11 0.50 0.05 0.42 0.00 0.00 0.00 175.10 175.96 3kpl s THR 190 N 0.38 3.79 -0.18 3.92 -4.23 0.34 -4.72 115.64 114.94 3kpl s THR 190 Ca -0.06 -1.64 -0.00 0.00 -1.18 0.00 0.00 61.69 58.81 3kpl s THR 190 Cb -0.15 -3.00 0.04 0.00 1.34 0.00 0.00 72.50 70.74 3kpl s THR 190 CO 0.04 -0.29 -0.07 -2.28 -0.54 0.00 0.00 174.62 171.48 3kpl s HIS 191 N -2.10 1.95 -0.34 3.99 2.46 -1.26 -1.25 115.29 118.74 3kpl s HIS 191 Ca 0.31 -1.28 0.01 0.00 0.47 0.00 0.00 55.06 54.57 3kpl s HIS 191 Cb -0.08 -1.43 0.10 0.00 -0.13 0.00 0.00 32.58 31.05 3kpl s HIS 191 CO 0.21 -0.67 0.10 -1.01 -2.47 0.00 0.00 174.74 170.90 3kpl s HIS 192 N 1.55 2.41 0.13 3.88 3.76 0.41 -4.96 115.29 122.46 3kpl s HIS 192 Ca -0.00 -2.23 -0.32 0.00 -0.15 0.00 0.00 55.06 52.36 3kpl s HIS 192 Cb -0.16 -2.14 -0.12 0.00 1.11 0.00 0.00 32.58 31.28 3kpl s HIS 192 CO -0.08 -0.89 1.77 -2.30 -0.85 0.00 0.00 174.74 172.39 3kpl n PRO 193 N 4.51 2.61 -0.04 8.40 -0.02 -1.26 0.24 135.00 149.43 3kpl n PRO 193 Ca 0.01 0.95 -0.21 0.00 -2.02 0.00 0.00 63.50 62.22 3kpl n PRO 193 Cb 0.41 -2.80 -0.13 0.00 -0.02 0.00 0.00 33.50 30.96 3kpl n PRO 193 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3kpl h ILE 194 N 4.34 0.97 -2.10 4.25 1.08 -1.60 -3.46 117.51 120.99 3kpl h ILE 194 Ca -0.46 -2.30 -0.01 0.00 -0.39 0.00 0.00 64.86 61.70 3kpl h ILE 194 Cb 1.23 2.54 -0.00 0.00 -3.07 0.00 0.00 36.82 37.52 3kpl h ILE 194 CO 0.94 0.59 0.00 -1.54 -0.69 0.00 0.00 178.15 177.45 3kpl n SER 195 N -4.08 -0.12 -0.05 1.72 3.41 -0.93 -5.01 113.62 108.55 3kpl n SER 195 Ca -0.28 -1.11 -0.09 0.00 -0.26 0.00 0.00 58.87 57.13 3kpl n SER 195 Cb 0.82 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.95 3kpl n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kpl h ASP 196 N 0.13 0.16 0.96 4.04 5.19 -2.03 -3.25 116.42 121.61 3kpl h ASP 196 Ca -0.02 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3kpl h ASP 196 Cb 0.08 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3kpl h ASP 196 CO 0.03 0.12 -0.60 0.45 -3.12 0.00 0.00 179.24 176.12 3kpl h HIS 197 N 0.23 0.00 -3.96 4.55 3.86 -1.97 -3.43 115.15 114.43 3kpl h HIS 197 Ca 0.09 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.98 3kpl h HIS 197 Cb 0.02 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 28.25 3kpl h HIS 197 CO -0.09 0.00 -0.75 -1.21 0.86 0.00 0.00 177.93 176.74 3kpl s GLU 198 N -3.18 0.57 0.04 2.45 2.02 -1.23 -1.11 118.70 118.26 3kpl s GLU 198 Ca 0.06 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.46 3kpl s GLU 198 Cb 0.13 -0.44 -0.03 0.00 0.10 0.00 0.00 34.13 33.88 3kpl s GLU 198 CO 0.72 0.10 -0.05 0.14 0.02 0.00 0.00 175.26 176.19 3kpl s VAL 199 N -0.93 0.36 -0.23 2.63 -7.23 -0.14 -1.51 120.40 113.35 3kpl s VAL 199 Ca -0.05 -1.27 -0.12 0.00 -1.81 0.00 0.00 61.98 58.73 3kpl s VAL 199 Cb -0.07 -0.81 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 3kpl s VAL 199 CO 0.00 -0.60 0.22 -0.89 -0.31 0.00 0.00 175.10 173.52 3kpl s THR 200 N -2.17 5.32 -0.28 5.32 2.01 0.14 -0.45 115.64 125.53 3kpl s THR 200 Ca -0.06 0.31 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 3kpl s THR 200 Cb -0.05 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 3kpl s THR 200 CO -0.03 0.32 0.15 -0.76 -0.69 0.00 0.00 174.62 173.62 3kpl s LEU 201 N 1.10 3.89 -0.16 4.42 1.43 -0.02 -0.45 118.68 128.90 3kpl s LEU 201 Ca 0.10 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3kpl s LEU 201 Cb -0.14 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3kpl s LEU 201 CO 0.05 -0.07 -0.17 -0.60 0.23 0.00 0.00 176.35 175.78 3kpl s ARG 202 N 1.70 3.13 -0.25 1.70 3.52 -0.38 -1.29 118.95 127.07 3kpl s ARG 202 Ca 0.07 -0.79 -0.08 0.00 -0.13 0.00 0.00 55.73 54.79 3kpl s ARG 202 Cb -0.16 -2.59 -0.04 0.00 -1.56 0.00 0.00 34.95 30.60 3kpl s ARG 202 CO 0.08 -0.06 0.10 0.00 -0.81 0.00 0.00 175.30 174.62 3kpl s TRP 204 N 1.45 3.00 -0.11 0.00 0.52 0.20 -1.61 118.94 122.39 3kpl s TRP 204 Ca 0.06 0.00 -0.02 0.00 0.02 0.00 0.00 56.10 56.16 3kpl s TRP 204 Cb -0.15 -1.58 0.04 0.00 -1.15 0.00 0.00 33.47 30.63 3kpl s TRP 204 CO 0.05 0.46 0.01 0.00 0.02 0.00 0.00 176.95 177.49 3kpl s ALA 205 N -1.21 0.81 0.20 0.98 0.00 -0.10 -2.97 121.76 119.47 3kpl s ALA 205 Ca 0.23 -0.31 0.09 0.00 0.00 0.00 0.00 51.96 51.97 3kpl s ALA 205 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3kpl s ALA 205 CO 0.15 -0.67 -0.19 -0.51 0.00 0.00 0.00 175.76 174.54 3kpl s LEU 206 N 1.93 2.49 -0.52 0.00 1.43 0.59 -1.33 118.68 123.27 3kpl s LEU 206 Ca 0.03 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 3kpl s LEU 206 Cb -0.14 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.19 3kpl s LEU 206 CO -0.06 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.10 3kpl n GLY 207 N -0.04 0.76 3.92 -3.19 0.00 -1.08 0.63 105.19 106.20 3kpl n GLY 207 Ca -0.10 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 3kpl n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kpl s PHE 208 N -2.16 3.50 -0.11 1.61 -0.71 -1.17 -4.64 117.98 114.30 3kpl s PHE 208 Ca 0.00 0.26 -0.08 0.00 -1.04 0.00 0.00 56.93 56.07 3kpl s PHE 208 Cb 0.00 -1.77 0.04 0.00 -1.21 0.00 0.00 43.02 40.08 3kpl s PHE 208 CO 0.00 0.54 0.29 -0.47 -1.34 0.00 0.00 175.22 174.24 3kpl s TYR 209 N -1.61 -0.35 0.69 3.49 6.14 -0.24 -0.82 117.35 124.65 3kpl s TYR 209 Ca 0.36 0.84 -0.12 0.00 0.64 0.00 0.00 57.07 58.79 3kpl s TYR 209 Cb -0.12 0.11 0.16 0.00 0.42 0.00 0.00 41.96 42.52 3kpl s TYR 209 CO 0.28 -0.20 0.85 -0.35 0.64 0.00 0.00 175.55 176.76 3kpl n PRO 210 N 3.56 -1.23 0.24 4.97 -0.04 -1.26 -0.59 135.00 140.64 3kpl n PRO 210 Ca -0.19 -1.32 0.09 0.00 -0.04 0.00 0.00 63.50 62.04 3kpl n PRO 210 Cb 0.56 -0.95 0.58 0.00 -0.04 0.00 0.00 33.50 33.65 3kpl n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kpl h ALA 211 N -2.01 1.34 -2.56 0.55 0.00 -1.94 -3.44 119.26 111.21 3kpl h ALA 211 Ca -0.28 -0.18 -0.52 0.00 0.00 0.00 0.00 54.91 53.92 3kpl h ALA 211 Cb 0.80 -0.03 0.05 0.00 0.00 0.00 0.00 17.79 18.60 3kpl h ALA 211 CO 0.20 0.25 1.09 -2.00 0.00 0.00 0.00 179.25 178.78 3kpl s GLU 212 N -4.21 4.13 0.04 0.00 2.56 -1.26 -4.97 118.70 114.99 3kpl s GLU 212 Ca -0.03 2.62 -0.27 0.00 0.00 0.00 0.00 54.97 57.29 3kpl s GLU 212 Cb 0.14 -3.43 0.07 0.00 2.00 0.00 0.00 34.13 32.90 3kpl s GLU 212 CO 0.64 -0.82 0.63 -1.50 -0.56 0.00 0.00 175.26 173.64 3kpl s ILE 213 N 2.26 0.00 -0.11 -3.70 2.07 -1.26 -4.63 121.20 115.84 3kpl s ILE 213 Ca 0.79 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 60.02 3kpl s ILE 213 Cb -0.48 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.13 3kpl s ILE 213 CO 0.35 -0.02 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.30 3kpl s THR 214 N -2.35 1.61 -0.13 4.00 2.01 -0.12 -4.99 115.64 115.66 3kpl s THR 214 Ca -0.06 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.22 3kpl s THR 214 Cb -0.00 -1.45 0.02 0.00 0.01 0.00 0.00 72.50 71.08 3kpl s THR 214 CO -0.00 0.46 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.52 3kpl s LEU 215 N 0.83 1.46 0.06 4.42 1.43 -1.26 -1.20 118.68 124.42 3kpl s LEU 215 Ca -0.10 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3kpl s LEU 215 Cb -0.16 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 3kpl s LEU 215 CO 0.01 -0.09 -0.05 0.42 0.23 0.00 0.00 176.35 176.87 3kpl s THR 216 N 1.59 0.42 -0.04 5.49 -4.23 -0.77 -4.91 115.64 113.19 3kpl s THR 216 Ca 0.05 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.06 3kpl s THR 216 Cb -0.13 -1.14 -0.03 0.00 1.34 0.00 0.00 72.50 72.54 3kpl s THR 216 CO -0.10 -0.73 -0.08 0.26 -0.54 0.00 0.00 174.62 173.44 3kpl s TRP 217 N -2.80 2.88 0.17 3.99 0.52 -1.26 -0.28 118.94 122.15 3kpl s TRP 217 Ca 0.01 -0.03 0.11 0.00 0.02 0.00 0.00 56.10 56.21 3kpl s TRP 217 Cb -0.00 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 3kpl s TRP 217 CO -0.04 0.33 -0.25 -0.65 0.02 0.00 0.00 176.95 176.35 3kpl s GLN 218 N -1.02 1.46 -0.15 4.98 -0.21 0.06 -1.50 119.66 123.27 3kpl s GLN 218 Ca 0.14 -1.45 -0.00 0.00 0.02 0.00 0.00 55.36 54.07 3kpl s GLN 218 Cb -0.11 -1.83 0.03 0.00 1.00 0.00 0.00 33.01 32.10 3kpl s GLN 218 CO 0.03 0.41 -0.08 0.50 -2.12 0.00 0.00 175.29 174.04 3kpl s ARG 219 N -2.43 1.64 -1.52 2.91 3.52 -0.55 -1.58 118.95 120.94 3kpl s ARG 219 Ca 0.18 -0.46 -0.11 0.00 -0.13 0.00 0.00 55.73 55.20 3kpl s ARG 219 Cb -0.09 -1.91 0.08 0.00 -1.56 0.00 0.00 34.95 31.47 3kpl s ARG 219 CO 0.08 -0.35 0.85 -0.25 -0.81 0.00 0.00 175.30 174.82 3kpl n ASP 220 N 4.87 -3.54 -0.21 -2.12 8.00 -0.10 -1.66 116.55 121.79 3kpl n ASP 220 Ca -0.13 -0.85 -0.03 0.00 0.71 0.00 0.00 54.79 54.49 3kpl n ASP 220 Cb 0.49 -3.63 -0.01 0.00 -0.02 0.00 0.00 41.12 37.94 3kpl n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpl n GLY 221 N -1.65 0.51 3.41 0.44 0.00 -1.26 -5.00 105.19 101.64 3kpl n GLY 221 Ca -0.04 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3kpl n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kpl s GLU 222 N -1.46 3.52 0.20 1.61 2.12 -0.66 -5.03 118.70 118.99 3kpl s GLU 222 Ca 0.00 -0.59 -0.32 0.00 0.36 0.00 0.00 54.97 54.41 3kpl s GLU 222 Cb 0.00 -2.87 -0.14 0.00 0.26 0.00 0.00 34.13 31.39 3kpl s GLU 222 CO 0.00 0.11 1.46 -0.25 -0.54 0.00 0.00 175.26 176.04 3kpl n ASP 223 N 3.88 2.81 -2.61 -1.70 8.00 -1.26 -1.48 116.55 124.18 3kpl n ASP 223 Ca -0.18 1.12 -0.33 0.00 0.71 0.00 0.00 54.79 56.11 3kpl n ASP 223 Cb 0.52 -1.41 0.03 0.00 -0.02 0.00 0.00 41.12 40.23 3kpl n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kpl n GLN 224 N 2.53 3.07 0.15 -1.24 1.13 -0.57 -4.87 117.38 117.59 3kpl n GLN 224 Ca 0.14 -3.91 -0.14 0.00 -1.94 0.00 0.00 57.00 51.14 3kpl n GLN 224 Cb 0.30 -2.27 -0.07 0.00 0.11 0.00 0.00 30.24 28.32 3kpl n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3kpl h THR 225 N 2.12 0.31 0.00 5.09 2.02 -1.91 0.60 112.91 121.13 3kpl h THR 225 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.64 3kpl h THR 225 Cb 0.57 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3kpl h THR 225 CO 1.18 0.00 0.00 0.00 0.37 0.00 0.00 175.52 177.07 3kpl n GLN 226 N -5.43 0.10 -0.01 6.66 6.02 -1.26 -2.45 117.38 121.02 3kpl n GLN 226 Ca -0.08 0.36 0.10 0.00 -0.01 0.00 0.00 57.00 57.37 3kpl n GLN 226 Cb 0.34 -1.71 -0.15 0.00 1.02 0.00 0.00 30.24 29.74 3kpl n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3kpl n ASP 227 N -1.91 0.60 -4.70 1.08 9.92 -0.79 -4.97 116.55 115.79 3kpl n ASP 227 Ca 0.02 -0.03 -0.42 0.00 -0.53 0.00 0.00 54.79 53.83 3kpl n ASP 227 Cb 0.19 1.86 -0.03 0.00 -0.64 0.00 0.00 41.12 42.50 3kpl n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3kpl s THR 228 N -3.32 4.35 -0.28 -3.53 2.01 0.14 -4.64 115.64 110.35 3kpl s THR 228 Ca -0.07 1.68 -0.20 0.00 0.31 0.00 0.00 61.69 63.41 3kpl s THR 228 Cb 0.12 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 3kpl s THR 228 CO 0.80 0.08 0.62 -0.70 -0.69 0.00 0.00 174.62 174.73 3kpl s GLU 229 N 1.50 4.01 -0.16 4.92 2.12 0.58 -4.91 118.70 126.75 3kpl s GLU 229 Ca 0.55 0.41 0.01 0.00 0.36 0.00 0.00 54.97 56.31 3kpl s GLU 229 Cb -0.25 -3.69 0.02 0.00 0.26 0.00 0.00 34.13 30.47 3kpl s GLU 229 CO 0.26 -0.49 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.13 3kpl s LEU 230 N 2.54 2.01 0.42 2.70 2.96 -1.26 -0.10 118.68 127.94 3kpl s LEU 230 Ca 0.25 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 3kpl s LEU 230 Cb -0.15 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 3kpl s LEU 230 CO 0.10 0.01 0.70 0.68 -1.32 0.00 0.00 176.35 176.52 3kpl s VAL 231 N 1.22 4.95 0.31 1.68 -7.23 -1.08 -5.05 120.40 115.21 3kpl s VAL 231 Ca 0.02 0.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 3kpl s VAL 231 Cb -0.14 -3.83 -0.10 0.00 0.56 0.00 0.00 36.38 32.87 3kpl s VAL 231 CO -0.10 -0.68 1.29 -0.70 -0.31 0.00 0.00 175.10 174.61 3kpl s GLU 232 N -4.39 4.38 0.22 4.82 2.12 -1.26 -4.63 118.70 119.96 3kpl s GLU 232 Ca 0.46 2.17 -0.32 0.00 0.36 0.00 0.00 54.97 57.64 3kpl s GLU 232 Cb -0.10 -3.09 -0.13 0.00 0.26 0.00 0.00 34.13 31.06 3kpl s GLU 232 CO 0.39 -0.17 1.52 2.41 -0.54 0.00 0.00 175.26 178.87 3kpl n THR 233 N 1.05 0.56 -4.48 -1.70 -1.04 -1.26 -4.84 114.28 102.56 3kpl n THR 233 Ca 0.01 -0.14 -0.21 0.00 -2.04 0.00 0.00 64.05 61.67 3kpl n THR 233 Cb 0.42 -1.60 -0.14 0.00 -1.82 0.00 0.00 70.33 67.19 3kpl n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kpl s ARG 234 N 0.15 1.02 0.35 -2.82 1.70 -0.58 -4.94 118.95 113.83 3kpl s ARG 234 Ca 0.72 -0.64 -0.27 0.00 -0.47 0.00 0.00 55.73 55.07 3kpl s ARG 234 Cb -0.63 -1.01 -0.09 0.00 -0.57 0.00 0.00 34.95 32.65 3kpl s ARG 234 CO 0.44 0.26 1.13 -1.25 -1.08 0.00 0.00 175.30 174.80 3kpl s PRO 235 N -0.77 4.31 0.10 3.89 0.04 -1.26 -0.02 135.00 141.30 3kpl s PRO 235 Ca 0.03 1.79 0.18 0.00 0.04 0.00 0.00 61.00 63.04 3kpl s PRO 235 Cb -0.07 -2.87 -0.10 0.00 0.04 0.00 0.00 34.50 31.51 3kpl s PRO 235 CO 0.00 -0.08 0.91 0.00 0.04 0.00 0.00 177.00 177.87 3kpl h ALA 236 N 3.10 0.63 0.00 8.56 0.00 -1.50 -3.46 119.26 126.58 3kpl h ALA 236 Ca -0.48 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.78 3kpl h ALA 236 Cb 1.22 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3kpl h ALA 236 CO 0.64 0.72 0.00 0.41 0.00 0.00 0.00 179.25 181.02 3kpl n GLY 237 N 1.34 0.47 1.03 0.00 0.00 -1.26 -4.94 105.19 101.83 3kpl n GLY 237 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.01 3kpl n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kpl n ASP 238 N 0.00 3.82 0.00 1.61 5.68 -1.26 -4.93 116.55 121.47 3kpl n ASP 238 Ca 0.00 -3.13 0.00 0.00 -0.50 0.00 0.00 54.79 51.16 3kpl n ASP 238 Cb 0.00 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 3kpl n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3kpl n ARG 239 N -0.54 0.00 -2.81 0.11 1.85 -1.26 -5.05 116.66 108.96 3kpl n ARG 239 Ca 0.24 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.89 3kpl n ARG 239 Cb 0.95 -0.47 0.04 0.00 -1.05 0.00 0.00 32.46 31.93 3kpl n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3kpl s THR 240 N -2.15 2.62 0.25 8.89 -4.23 -1.26 -4.84 115.64 114.92 3kpl s THR 240 Ca 0.00 -0.81 0.06 0.00 -1.18 0.00 0.00 61.69 59.75 3kpl s THR 240 Cb 0.00 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 3kpl s THR 240 CO 0.00 0.00 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.66 3kpl s PHE 241 N -2.67 1.76 0.08 3.99 0.40 -0.00 -1.27 117.98 120.27 3kpl s PHE 241 Ca 0.58 -0.75 0.05 0.00 -0.60 0.00 0.00 56.93 56.21 3kpl s PHE 241 Cb -0.09 -0.98 -0.03 0.00 0.51 0.00 0.00 43.02 42.43 3kpl s PHE 241 CO 0.38 0.18 -0.14 -0.65 0.70 0.00 0.00 175.22 175.68 3kpl s GLN 242 N -3.76 0.84 -0.03 0.44 -0.21 0.97 -2.63 119.66 115.29 3kpl s GLN 242 Ca 0.27 -0.99 -0.21 0.00 0.02 0.00 0.00 55.36 54.45 3kpl s GLN 242 Cb 0.04 -0.84 0.04 0.00 1.00 0.00 0.00 33.01 33.25 3kpl s GLN 242 CO 0.10 0.18 0.46 0.21 -2.12 0.00 0.00 175.29 174.12 3kpl s LYS 243 N -1.84 0.83 0.08 2.91 2.20 -0.44 -1.52 119.74 121.96 3kpl s LYS 243 Ca -0.01 -0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.59 3kpl s LYS 243 Cb -0.09 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.57 3kpl s LYS 243 CO 0.02 -0.25 -0.05 1.67 -0.36 0.00 0.00 175.35 176.39 3kpl s TRP 244 N -1.31 0.75 -0.03 4.03 1.48 -1.26 -0.93 118.94 121.67 3kpl s TRP 244 Ca -0.12 -0.98 0.02 0.00 -1.06 0.00 0.00 56.10 53.95 3kpl s TRP 244 Cb -0.03 -0.47 0.01 0.00 -1.16 0.00 0.00 33.47 31.82 3kpl s TRP 244 CO 0.06 -0.24 -0.06 0.00 -4.06 0.00 0.00 176.95 172.65 3kpl s ALA 245 N -3.74 0.66 0.09 2.67 0.00 -0.63 -2.62 121.76 118.18 3kpl s ALA 245 Ca 0.10 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 51.98 3kpl s ALA 245 Cb 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3kpl s ALA 245 CO -0.07 0.06 -0.20 0.00 0.00 0.00 0.00 175.76 175.55 3kpl s ALA 246 N 0.46 1.75 0.03 0.00 0.00 0.85 -0.27 121.76 124.58 3kpl s ALA 246 Ca -0.06 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.71 3kpl s ALA 246 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3kpl s ALA 246 CO 0.00 0.35 -0.07 0.14 0.00 0.00 0.00 175.76 176.18 3kpl s VAL 247 N -1.14 0.51 -0.25 0.00 -7.23 -0.41 -0.31 120.40 111.57 3kpl s VAL 247 Ca 0.06 -0.89 -0.14 0.00 -1.81 0.00 0.00 61.98 59.20 3kpl s VAL 247 Cb -0.10 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 3kpl s VAL 247 CO 0.04 -0.27 0.32 -0.69 -0.31 0.00 0.00 175.10 174.19 3kpl s VAL 248 N -1.10 5.23 0.11 1.32 1.01 -1.26 -0.84 120.40 124.88 3kpl s VAL 248 Ca -0.07 0.48 0.09 0.00 0.00 0.00 0.00 61.98 62.48 3kpl s VAL 248 Cb -0.08 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3kpl s VAL 248 CO 0.00 0.23 -0.23 0.68 0.00 0.00 0.00 175.10 175.78 3kpl s VAL 249 N 1.67 1.88 0.25 2.92 -7.23 0.41 -4.93 120.40 115.37 3kpl s VAL 249 Ca 0.14 -1.61 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 3kpl s VAL 249 Cb -0.15 -1.69 -0.09 0.00 0.56 0.00 0.00 36.38 35.00 3kpl s VAL 249 CO 0.09 -0.02 1.32 -2.84 -0.31 0.00 0.00 175.10 173.34 3kpl s PRO 250 N -1.96 4.38 -0.01 4.82 0.02 -1.26 -0.97 135.00 140.02 3kpl s PRO 250 Ca 0.09 2.13 -0.35 0.00 0.02 0.00 0.00 61.00 62.88 3kpl s PRO 250 Cb -0.10 -3.14 -0.18 0.00 0.02 0.00 0.00 34.50 31.10 3kpl s PRO 250 CO 0.05 -0.23 0.96 0.43 -0.33 0.00 0.00 177.00 177.88 3kpl n SER 251 N 1.95 0.02 0.00 2.53 7.64 -0.27 -1.16 113.62 124.32 3kpl n SER 251 Ca 0.04 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.94 3kpl n SER 251 Cb 0.42 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 3kpl n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kpl n GLY 252 N 1.38 1.96 1.22 0.23 0.00 -1.26 -4.84 105.19 103.87 3kpl n GLY 252 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3kpl n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kpl n GLU 253 N -2.00 2.64 -0.25 1.61 1.02 -0.31 -4.65 120.64 118.70 3kpl n GLU 253 Ca 0.00 -2.48 0.17 0.00 -0.02 0.00 0.00 57.16 54.83 3kpl n GLU 253 Cb 0.00 -1.52 0.47 0.00 -0.02 0.00 0.00 31.44 30.37 3kpl n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kpl h GLU 254 N 4.12 0.48 0.00 3.49 3.07 -1.89 -0.74 114.58 123.11 3kpl h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3kpl h GLU 254 Cb 0.96 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 3kpl h GLU 254 CO 0.00 0.32 0.00 1.04 -1.40 0.00 0.00 179.01 178.97 3kpl n GLN 255 N -4.54 0.59 0.03 2.33 1.13 -1.26 -2.14 117.38 113.52 3kpl n GLN 255 Ca 0.19 0.03 0.13 0.00 -1.94 0.00 0.00 57.00 55.40 3kpl n GLN 255 Cb 0.63 -1.50 0.44 0.00 0.11 0.00 0.00 30.24 29.92 3kpl n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kpl n ARG 256 N -1.14 0.09 -4.46 -1.09 1.74 -0.28 -4.86 116.66 106.66 3kpl n ARG 256 Ca 0.16 0.05 -0.34 0.00 -0.77 0.00 0.00 57.85 56.95 3kpl n ARG 256 Cb 0.14 -1.58 -0.10 0.00 -1.02 0.00 0.00 32.46 29.89 3kpl n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kpl s TYR 257 N -3.04 3.07 -0.00 -1.55 1.51 -0.91 -0.92 117.35 115.51 3kpl s TYR 257 Ca 0.12 0.10 0.03 0.00 -1.01 0.00 0.00 57.07 56.31 3kpl s TYR 257 Cb 0.17 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 3kpl s TYR 257 CO 0.60 0.39 -0.08 0.95 -1.11 0.00 0.00 175.55 176.30 3kpl s THR 258 N -0.77 0.65 -0.11 -0.71 -4.23 -0.61 -4.64 115.64 105.23 3kpl s THR 258 Ca 0.12 -0.39 -0.09 0.00 -1.18 0.00 0.00 61.69 60.15 3kpl s THR 258 Cb -0.11 -0.56 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 3kpl s THR 258 CO 0.02 0.16 0.19 0.00 -0.54 0.00 0.00 174.62 174.45 3kpl s HIS 260 N -0.90 2.45 -0.11 0.00 3.76 0.61 -0.04 115.29 121.05 3kpl s HIS 260 Ca 0.16 -1.13 0.03 0.00 -0.15 0.00 0.00 55.06 53.97 3kpl s HIS 260 Cb -0.13 -1.67 0.01 0.00 1.11 0.00 0.00 32.58 31.90 3kpl s HIS 260 CO 0.05 -0.51 -0.20 0.08 -0.85 0.00 0.00 174.74 173.31 3kpl s VAL 261 N 0.67 1.86 -0.10 -0.90 1.01 -0.20 -1.85 120.40 120.89 3kpl s VAL 261 Ca -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.01 3kpl s VAL 261 Cb -0.16 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.58 3kpl s VAL 261 CO 0.02 0.51 -0.16 -1.10 0.00 0.00 0.00 175.10 174.37 3kpl s GLN 262 N 0.68 2.28 -0.04 2.72 -0.21 -0.34 -0.59 119.66 124.17 3kpl s GLN 262 Ca -0.12 -0.60 -0.22 0.00 0.02 0.00 0.00 55.36 54.45 3kpl s GLN 262 Cb -0.16 -1.87 0.05 0.00 1.00 0.00 0.00 33.01 32.02 3kpl s GLN 262 CO 0.02 0.01 0.49 -1.58 -2.12 0.00 0.00 175.29 172.11 3kpl s HIS 263 N 0.78 -0.41 -0.04 0.91 2.46 -1.26 -0.95 115.29 116.77 3kpl s HIS 263 Ca -0.11 0.71 0.31 0.00 0.47 0.00 0.00 55.06 56.44 3kpl s HIS 263 Cb -0.16 0.24 1.35 0.00 -0.13 0.00 0.00 32.58 33.89 3kpl s HIS 263 CO 0.02 -0.48 1.92 1.05 -2.47 0.00 0.00 174.74 174.78 3kpl h GLU 264 N 3.55 0.00 -0.00 2.88 4.11 -1.94 -1.17 114.58 122.01 3kpl h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 3kpl h GLU 264 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3kpl h GLU 264 CO 0.38 0.00 -0.00 0.41 0.07 0.00 0.00 179.01 179.87 3kpl n GLY 265 N -0.18 -1.29 3.54 1.06 0.00 -1.26 -4.76 105.19 102.30 3kpl n GLY 265 Ca 0.01 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3kpl n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kpl s LEU 266 N -2.59 3.60 0.19 0.99 1.43 -0.44 -4.49 118.68 117.37 3kpl s LEU 266 Ca 0.28 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 3kpl s LEU 266 Cb 0.20 -1.93 0.16 0.00 0.03 0.00 0.00 46.19 44.65 3kpl s LEU 266 CO 0.47 0.08 1.81 1.55 0.23 0.00 0.00 176.35 180.49 3kpl h PRO 267 N 7.37 0.63 -5.50 1.29 0.13 -1.86 -3.43 132.00 130.63 3kpl h PRO 267 Ca -0.36 -0.04 -0.44 0.00 -0.87 0.00 0.00 66.00 64.29 3kpl h PRO 267 Cb 1.17 -0.14 -0.21 0.00 0.13 0.00 0.00 31.00 31.95 3kpl h PRO 267 CO 0.64 0.42 -0.79 -1.59 -0.23 0.00 0.00 178.00 176.45 3kpl s LYS 268 N -6.12 0.88 0.51 0.86 0.00 -1.26 -5.13 119.74 109.47 3kpl s LYS 268 Ca -0.13 -1.00 -0.22 0.00 0.00 0.00 0.00 55.97 54.62 3kpl s LYS 268 Cb 0.14 -0.93 -0.07 0.00 0.00 0.00 0.00 37.83 36.97 3kpl s LYS 268 CO 0.75 0.21 1.09 -2.30 0.00 0.00 0.00 175.35 175.10 3kpl n PRO 269 N 1.22 1.35 -3.57 1.78 -0.02 -1.26 -4.97 135.00 129.54 3kpl n PRO 269 Ca -0.21 0.49 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 3kpl n PRO 269 Cb 0.54 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 3kpl n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kpl s LEU 270 N -1.72 4.25 -0.14 2.45 1.43 0.24 -4.91 118.68 120.28 3kpl s LEU 270 Ca 0.69 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 3kpl s LEU 270 Cb -0.47 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.40 3kpl s LEU 270 CO 0.52 0.04 -0.20 -0.89 0.23 0.00 0.00 176.35 176.05 3kpl s THR 271 N -1.65 1.92 0.20 5.49 2.01 -1.26 -1.03 115.64 121.32 3kpl s THR 271 Ca 0.41 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.63 3kpl s THR 271 Cb -0.12 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 3kpl s THR 271 CO 0.22 0.52 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.71 3kpl s LEU 272 N 0.92 2.48 0.18 4.42 1.02 0.94 -4.95 118.68 123.69 3kpl s LEU 272 Ca -0.05 -0.91 0.02 0.00 0.02 0.00 0.00 54.13 53.21 3kpl s LEU 272 Cb -0.15 -1.01 -0.05 0.00 0.02 0.00 0.00 46.19 45.00 3kpl s LEU 272 CO -0.03 0.03 -0.01 -0.13 0.02 0.00 0.00 176.35 176.23 3kpl s ARG 273 N -2.95 1.16 0.19 1.70 0.52 -1.26 0.01 118.95 118.33 3kpl s ARG 273 Ca 0.21 -1.56 -0.32 0.00 -0.52 0.00 0.00 55.73 53.54 3kpl s ARG 273 Cb -0.06 -0.38 -0.11 0.00 0.52 0.00 0.00 34.95 34.92 3kpl s ARG 273 CO 0.10 -0.10 1.62 -0.46 0.02 0.00 0.00 175.30 176.47 3kpl s TRP 274 N -3.57 2.98 -0.55 -0.53 -0.11 -1.26 -4.67 118.94 111.24 3kpl s TRP 274 Ca 0.24 0.56 0.01 0.00 1.22 0.00 0.00 56.10 58.13 3kpl s TRP 274 Cb 0.06 -4.01 0.14 0.00 -1.50 0.00 0.00 33.47 28.16 3kpl s TRP 274 CO 0.05 -3.71 0.32 -1.21 -4.62 0.00 0.00 176.95 167.77 3kpl s GLU 275 N 0.96 2.19 0.00 5.86 0.41 -1.26 -4.98 118.70 121.88 3kpl s GLU 275 Ca 0.71 -2.49 0.22 0.00 -0.41 0.00 0.00 54.97 53.00 3kpl s GLU 275 Cb -0.46 -3.50 1.34 0.00 -1.78 0.00 0.00 34.13 29.73 3kpl s GLU 275 CO 0.33 -1.12 1.71 -0.35 -0.49 0.00 0.00 175.26 175.34